From 0a7d5640fc3a89d6e6b1c3e23775cd977b7b4f67 Mon Sep 17 00:00:00 2001 From: Josh Loecker Date: Mon, 24 Oct 2022 15:09:36 -0500 Subject: [PATCH] Clean Jupyter Notebook Output (#72) --- .github/workflows/dockerhub.yml | 11 + .../pipeline-checkpoint.ipynb | 783 ------------------ docs/images/file.svg | 1 + docs/images/folder.svg | 1 + .../inputs/test_async_bioservices_input.csv | 11 + .../py/tests/inputs/test_proteomics_input.csv | 2 + main/py/tests/test_gse_pipeline_fast.py | 20 + 7 files changed, 46 insertions(+), 783 deletions(-) delete mode 100644 docker_old/pipelines/py/.ipynb_checkpoints/pipeline-checkpoint.ipynb create mode 100644 docs/images/file.svg create mode 100644 docs/images/folder.svg create mode 100644 main/py/tests/inputs/test_async_bioservices_input.csv create mode 100644 main/py/tests/inputs/test_proteomics_input.csv create mode 100644 main/py/tests/test_gse_pipeline_fast.py diff --git a/.github/workflows/dockerhub.yml b/.github/workflows/dockerhub.yml index fb8abd42..68d8bdfe 100644 --- a/.github/workflows/dockerhub.yml +++ b/.github/workflows/dockerhub.yml @@ -61,6 +61,17 @@ jobs: - name: Set up Docker Buildx uses: docker/setup-buildx-action@v2 + # Fail if prehook not used + - name: Set Up Python for Cleaning + uses: actions/setup-python@v4 + with: + python-version: "3.10" + - name: Clean Notebook Output + run: | + python -m pip install --upgrade nbstripout --no-cache-dir + find /home/runner/work/MADRID/MADRID/ -name "*.ipynb" -exec nbstripout "{}" \; + + # Fail if prehook not used - name: Clean Notebook Output uses: ResearchSoftwareActions/EnsureCleanNotebooksAction@1.1 diff --git a/docker_old/pipelines/py/.ipynb_checkpoints/pipeline-checkpoint.ipynb b/docker_old/pipelines/py/.ipynb_checkpoints/pipeline-checkpoint.ipynb deleted file mode 100644 index 51493369..00000000 --- a/docker_old/pipelines/py/.ipynb_checkpoints/pipeline-checkpoint.ipynb +++ /dev/null @@ -1,783 +0,0 @@ -{ - "cells": [ - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Instructions\n", - "\n", - "This jupyter notebook run MADRID pipeline to identify drug targets and repurposing drugs for user-defined complex human diseases. The entire process contains four steps:\n", - "1. Download and analyze transcriptomics and proteomics data, output a list of active genes.\n", - "2. Create tissue specific models based on the list of active genes. If required the user can manually refine these models and supply them in Step 4. \n", - "3. Identifying differential gene expressions from disease datasets.\n", - "4. Identifying drug targets and repruposable drugs. This step consists of four substeps. \n", - " (i) mapping drugs on automatically created or user-supplied models, (ii) knock-out simulation, (iii) compare simulation results of perturbed and unperturbed models, and (iv) integrate with disease genes and score drug targets.\n", - "\n", - "The users needs to create the input files for each step and upload input files to the docker container `/root/pipelines/data/`, and specify the input files in this notebook. In the original docker image, some exemplary input files are included to build metabolic models of naive, Th1, Th2, and Th17 subtypes and identify drug targets for rheumatoid arthritis. User should follow the documentation and the format of the exemplary input files to create your own input files." - ] - }, - { - "cell_type": "code", - "execution_count": 1, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "G:/GitHub/MADRID/docker/pipelines/\n" - ] - } - ], - "source": [ - "# import necessary python packages\n", - "import sys\n", - "import os\n", - "import pandas\n", - "import numpy\n", - "import json\n", - "import re\n", - "from subprocess import call\n", - "from project import configs\n", - "\n", - "# print root path of the project\n", - "print(configs.rootdir) " - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Step 1: Identifying gene activity by analyzing transcriptomics and proteomics datasets" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "*** Specify input files for step 1 here ***\n", - "\n", - "If proteomics data is not availabe, use:\n", - "\n", - "proteomics_data_file = 'dummy_proteomics_data.xlsx'\n", - "\n", - "proteomics_config_file = 'dummy_proteomics_config.xlsx'" - ] - }, - { - "cell_type": "code", - "execution_count": 9, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "['generateCountMatrix.py', '-i', 'G:/GitHub/MADRID/docker/pipelines/data/bulkData/NaiveB/', '-o', 'G:/GitHub/MADRID/docker/pipelines/data/', '-t', 'quantile']\n", - "Input directory is \"G:/GitHub/MADRID/docker/pipelines/data/bulkData/NaiveB/\"\n", - "Output file is \"G:/GitHub/MADRID/docker/pipelines/data/\"\n", - "Active gene determination technique is \"quantile\"\n" - ] - } - ], - "source": [ - "# Step 0: Generate count matrix from gene counts files generated from STAR\n", - "\n", - "technique = \"quantile\" # technique for bulk RNA-seq active gene determination\n", - " # for count matrix gen, only used to determine whether or not\n", - " # picard output mean fragment sizes are required.\n", - " \n", - "input_dir = \"docker/pipelines/data/bulkData/NaiveB/\"\n", - "output_dir = \"docker/pipelines/data/\"\n", - " \n", - "cmd = ' '.join(['python3', 'generateCountMatrix.py',\n", - " '-i', '\"{}\"'.format(input_dir),\n", - " '-o', '\"{}\"'.format(output_dir),\n", - " '-t', '\"{}\"'.format(technique)])\n", - "!{cmd}\n", - "# Alternatively, the gene count matrix for RNA-seq can be crafted any other way desired\n", - "# and this step can be skipped" - ] - }, - { - "cell_type": "code", - "execution_count": 8, - "metadata": {}, - "outputs": [], - "source": [ - "# wd for development\n", - "\n", - "# Specific input files for step 1\n", - "\n", - "# config file for transcriptomics (microarray)\n", - "transcriptomics_config_file = 'transcriptomics_data_inputs.xlsx'\n", - "\n", - "# data file for bulk rna-seq\n", - "bulk_data_file = 'BulkRNAseqDataMatrix.csv'\n", - "\n", - "# config for bulk rna-seq\n", - "bulk_config_file = 'bulk_data_inputs.csv'\n", - "\n", - "# data file for proteomics\n", - "proteomics_data_file = 'ProteomicsDataMatrix.xlsx' \n", - "\n", - "# config file for proteomics\n", - "proteomics_config_file = 'proteomics_data_inputs.xlsx'\n", - "\n", - "# proportion of replicates required for a gene to be considered active in that sample\n", - "\n", - "expression_proportion = 0.5\n", - "# if gene is in the top nth percentile in any sample it is considered high confidence and will be considered\n", - "# expressed regardless of the results of other methods\n", - "top_percentile = 10" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stderr", - "output_type": "stream", - "text": [ - "'python3' is not recognized as an internal or external command,\n", - "operable program or batch file.\n" - ] - } - ], - "source": [ - "# Step 1.1 Download and analyze transcriptomics\n", - "cmd = ' '.join(['python3', 'transcriptomic_gen.py', \n", - " '-i', '\"{}\"'.format(transcriptomics_config_file)])\n", - "!{cmd}" - ] - }, - { - "cell_type": "code", - "execution_count": 15, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Data file is \"BulkRNAseqDataMatrix.csv\"\n", - "Supplementary Data file is \"bulk_data_inputs.csv\"\n", - "G:/GitHub/MADRID/docker/pipelines/data\\Bulk_CD8T.csv\n", - "Test data saved to G:/GitHub/MADRID/docker/pipelines/data\\Bulk_CD8T.csv\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\pandas2ri.py:17: FutureWarning: pandas.core.index is deprecated and will be removed in a future version. The public classes are available in the top-level namespace.\n", - " from pandas.core.index import Index as PandasIndex\n" - ] - } - ], - "source": [ - "# step 1.2 Analyze Bulk-RNA-seq \n", - "\n", - "# Bulk-RNA-seq can handle many more parameters, \n", - "# bulk_data_file, bulk_config_file, gene_format, and species_dataset are required.\n", - "\n", - "gene_format = \"ensembl\" # gene format in count file for biomart\n", - "species_dataset = \"human\" # species dataset for biomart\n", - "exp_prop_rep = 0.5 # proportion of replicates for a gene to be active in a sample\n", - "exp_prop_samp = 0.5 # proportion of samples with expression required for gene \n", - "top_percentile = 5 # any replicate with expression in this percentile is expressed, regardless of other sources \n", - "technique = \"quantile\" # quantile, cpm, or zFPKM\n", - "quantile = 25 # only used with quantile\n", - "\n", - "cmd = ' '.join(['python3', 'bulk_gen.py', \n", - " '-f', '\"{}\"'.format(bulk_data_file), # bulk rna-seq data sheet (required)\n", - " '-c', '\"{}\"'.format(bulk_config_file), # config file for bulk RNA-seq (required)\n", - " '-g', '\"{}\"'.format(gene_format), # gene format in count file for biomart (required)\n", - " '-d', '\"{}\"'.format(species_dataset), # species dataset for biomart (required)\n", - " '-r', '\"{}\"'.format(exp_prop_rep), # proportion of replicates for a gene to be active in a sample\n", - " '-s', '\"{}\"'.format(exp_prop_samp), # proportion of samples with expression required for gene \n", - " '-p', '\"{}\"'.format(top_percentile), # top percentile \n", - " '-t', '\"{}\"'.format(technique), # technique for filtering and normalization \n", - " '-q', '\"{}\"'.format(quantile)]) # cutoff TPM quantile for quantile techique\n", - " \n", - "!{cmd}" - ] - }, - { - "cell_type": "code", - "execution_count": 6, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Data file is \"ProteomicsDataMatrix.xlsx\"\n", - "Supplementary Data file is \"proteomics_data_inputs.xlsx\"\n", - " Naïve \n", - "0 CopyNumber_T4.naive_01_activated\n", - "1 CopyNumber_T4.naive_02_activated\n", - "2 CopyNumber_T4.naive_03_activated\n", - "3 CopyNumber_T4.naive_04_activated\n", - "4 CopyNumber_T4.naive_01_steady-state\n", - "5 CopyNumber_T4.naive_02_steady-state\n", - "6 CopyNumber_T4.naive_03_steady-state\n", - "7 CopyNumber_T4.naive_04_steady-state\n", - "Test Data Saved to G:/GitHub/MADRID/docker/pipelines/data\\Proteomics_Naive.csv\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\pandas2ri.py:17: FutureWarning: pandas.core.index is deprecated and will be removed in a future version. The public classes are available in the top-level namespace.\n", - " from pandas.core.index import Index as PandasIndex\n" - ] - } - ], - "source": [ - "# Step 1.3 Analyze proteomics\n", - "cmd = ' '.join(['python3', 'proteomics_gen.py', \n", - " '-d', '\"{}\"'.format(proteomics_data_file), \n", - " '-s', '\"{}\"'.format(proteomics_config_file),\n", - " '-e', '\"{}\"'.format(expression_proportion),\n", - " '-p', '\"{}\"'.format(top_percentile)])\n", - "!{cmd}" - ] - }, - { - "cell_type": "code", - "execution_count": 16, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Transcriptomics file is \"None\"\n", - "Proteomics file is \"None\"\n", - "Bulk RNA-seq file is \"bulk_data_inputs.csv\"\n", - "{'dummy': 'dummy_data'}\n", - " SampleName InsertSize\n", - "0 FILENAME CD8T\n", - "1 GROUP_S1 GROUP_S1\n", - "2 CD8T_rep1 0\n", - "3 CD8T_rep2 0\n", - "4 CD8T_rep3 0\n", - "5 CD8T_rep4 0\n", - "6 CD8T_rep5 0\n", - "7 CD8T_rep6 0\n", - "8 CD8T_rep7 0\n", - "9 CD8T_rep8 0\n", - " SampleName InsertSize\n", - "0 FILENAME CD8T\n", - "0 CD8T\n", - "Name: InsertSize, dtype: object\n", - "bulk exists\n", - "CD8T\n", - "expressed int64\n", - "top int64\n", - "dtype: object\n", - "Test Data Load From G:/GitHub/MADRID/docker/pipelines/data\\Bulk_CD8T.csv\n", - "{'CD8T': expressed top\n", - "ENTREZ_GENE_ID \n", - "7105 0 0\n", - "64102 0 0\n", - "8813 1 0\n", - "57147 0 0\n", - "55732 0 0\n", - "... ... ...\n", - "146512 0 0\n", - "101929608 0 0\n", - "100129503 0 0\n", - "84931 0 0\n", - "730668 0 0\n", - "\n", - "[24860 rows x 2 columns]}\n", - "dict_keys(['dummy'])\n", - "dict_keys(['dummy'])\n", - "dict_keys(['CD8T'])\n", - "keys1 generated\n", - "{'CD8T'}\n", - "CD8T\n", - " bulk_exp bulk_top\n", - "ENTREZ_GENE_ID \n", - "7105 0 0\n", - "64102 0 0\n", - "8813 1 0\n", - "57147 0 0\n", - "55732 0 0\n", - "... ... ...\n", - "146512 0 0\n", - "101929608 0 0\n", - "100129503 0 0\n", - "84931 0 0\n", - "730668 0 0\n", - "\n", - "[24860 rows x 2 columns]\n", - " bulk_exp bulk_top\n", - "ENTREZ_GENE_ID \n", - "7105 0 0\n", - "64102 0 0\n", - "8813 1 0\n", - "57147 0 0\n", - "55732 0 0\n", - "... ... ...\n", - "146512 0 0\n", - "101929608 0 0\n", - "100129503 0 0\n", - "84931 0 0\n", - "730668 0 0\n", - "\n", - "[24860 rows x 2 columns]\n", - "ENTREZ_GENE_ID object\n", - "bulk_exp int64\n", - "bulk_top int64\n", - "dtype: object\n", - "0 single ENTREZ_GENE_IDs to merge\n", - "id_list: 0, set: 0\n", - "entrez_single_id_list: 24860, set: 24860\n", - "entrez_id_list: 0, set: 0\n", - "dups: 0, set: 0\n", - "0 id merged\n", - " bulk_exp bulk_top\n", - "ENTREZ_GENE_ID \n", - "1 0 0\n", - "10 0 0\n", - "100 1 0\n", - "1000 0 0\n", - "10000 0 0\n", - "... ... ...\n", - "9990 1 0\n", - "9991 1 0\n", - "9992 0 0\n", - "9993 0 0\n", - "9994 1 0\n", - "\n", - "[24860 rows x 2 columns]\n", - "(24860, 2)\n", - "(0, 2)\n", - "(0, 2)\n", - "(24860, 2)\n", - "CD8T: save to G:/GitHub/MADRID/docker/pipelines/data\\GeneExpression_CD8T_Merged.csv\n", - "\n", - "{'CD8T': 'G:/GitHub/MADRID/docker/pipelines/data\\\\GeneExpression_CD8T_Merged.csv'}\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\pandas2ri.py:17: FutureWarning: pandas.core.index is deprecated and will be removed in a future version. The public classes are available in the top-level namespace.\n", - " from pandas.core.index import Index as PandasIndex\n" - ] - } - ], - "source": [ - "# Step 1.4 Merge the gene lists of transcriptomics and proteomics, create a list of active gene IDs\n", - "\n", - "cmd = ' '.join(['python3', 'merge_xomics.py', \n", - " #'-t', '\"{}\"'.format(transcriptomics_config_file),\n", - " '-b', '\"{}\"'.format(bulk_config_file)])\n", - " #'-p', '\"{}\"'.format(proteomics_config_file),])\n", - "!{cmd}" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Step 2: Create tissue-specific or cell-type-specific Models" - ] - }, - { - "cell_type": "code", - "execution_count": 17, - "metadata": {}, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "{'CD8T': 'G:/GitHub/MADRID/docker/pipelines/data\\\\GeneExpression_CD8T_Merged.csv'}\n" - ] - } - ], - "source": [ - "# Load the output of step 1, which is a dictionary that specifies the merged list of active Gene IDs for each tissue\n", - "\n", - "step1_results_file = os.path.join(configs.rootdir, 'data', 'step1_results_files.json')\n", - "with open(step1_results_file) as json_file:\n", - " tissue_gene_exp = json.load(json_file)\n", - "print(tissue_gene_exp)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "*** Specify input files for step 2 here ***" - ] - }, - { - "cell_type": "code", - "execution_count": 18, - "metadata": {}, - "outputs": [], - "source": [ - "# (input) filename of General Model, Recon3D_Teff_ver2\n", - "GeneralModelFile = 'GeneralModel.mat'\n", - "\n", - "# (input) filename of Tissue Gene Expression\n", - "# genefile = 'merged_Th1.csv'\n", - "\n", - "# (output) filename of Tissue Specific Model\n", - "# tissuefile = 'Th1_SpecificModel.mat'" - ] - }, - { - "cell_type": "code", - "execution_count": 19, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "General Model file is \"GeneralModel.mat\"\n", - "Gene Expression file is \"GeneExpression_CD8T_Merged.csv\"\n", - "Output file is \"CD8T_SpecificModel.mat\"\n", - "{'CD8T': 'CD8T_SpecificModel.mat'}\n" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\cobamp\\gpr\\core.py:116: UserWarning: Will not normalize rules with more than 20 average tokens per gene\n", - " 'Will not normalize rules with more than ' + str(token_to_gene_ratio) + ' average tokens per gene')\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Using \"GIMME\" reconstruction algorithm\n", - "(24860, 2)\n", - "(0, 2)\n", - "(0, 2)\n", - "(24860, 2)\n", - "Map gene expression to reactions, 0 errors.\n", - "OrderedDict([('AGTim', 0), ('AGTix', 0), ('ALAR', 0), ('ARGSL', 0), ('ARGSS', 0), ('ASNNm', 0), ('ASNS1', 1), ('ASPNATm', -1.0), ('ASPTA', 0), ('ASPTAm', 1), ('DASPO1p', 0), ('NACASPAH', 0), ('r0127', 0), ('COKECBESr', 0), ('ACGALK', -1.0), ('ACGALK2', -1.0), ('ACGAM2E', 0), ('ACGAM6PSi', 0), ('ACGAMK', 0), ('ACGAMPM', 0), ('ACNAM9PL', 1), ('ACNAM9PL2', 1), ('ACNAMPH', 0), ('ACNMLr', -1.0), ('AGDC', 0), ('AMANK', 0), ('CHTNASE', 0), ('CHTNASEe', 0), ('CMPSAS', 0), ('CMPSASn', 0), ('G6PDA', 0), ('GF6PTA', 1), ('HEX10', 1), ('HMR_4124', 1), ('KDNH', -1.0), ('r0013', 1), ('r0113', 0), ('r0363', 1), ('r0364', 1), ('r0782', 0), ('r1374', 0), ('r1375', -1.0), ('UAG2EMAi', 0), ('UAG4E', 0), ('UAGALDP', -1.0), ('UAGDP', 1), ('HMR_1944', 0), ('HMR_1958', 0), ('HMR_1962', 0), ('HMR_1967', 0), ('HMR_1968', 0), ('HMR_1970', 0), ('HMR_1971', 0), ('HMR_1976', 0), ('HMR_1982', 0), ('HMR_1983', 0), ('HMR_2014', 0), ('HMR_2016', 0), ('HMR_2018', 0), ('HMR_2029', 0), ('HMR_2088', 1), ('HMR_2089', 1), ('RE1587C', -1.0), ('RE1630C', -1.0), ('RE1632C', -1.0), ('RE2235C', -1.0), ('RE2235R', 0), ('RE2386C', -1.0), ('RE3013C', -1.0), ('RE3108C', -1.0), ('RE3218C', 0), ('RE3220C', 0), ('HMR_0942', 0), ('HMR_0946', 0), ('HMR_0950', 0), 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0), ('6CSMVACIDteb', -1.0), ('6CSMVhep', 0), ('6CSMVitr', -1.0), ('6EPSteb', 0), ('6EPVShc', -1.0), ('6EPVStep', -1.0), ('6EPVSthc', 0), ('6HLVSTAChep', 0), ('6HLVSTACIDitr', -1.0), ('6HLVSTitr', -1.0), ('6HLVSTthep', -1.0), ('6HMSMVACIDhep', 0), ('6HMSMVACIDteb', -1.0), ('6HMSMVhep', 0), ('6HMSMVitr', -1.0), ('6HSMVACIDhep', 0), ('6HSMVACIDteb', -1.0), ('6HSMVhep', 0), ('6HSMVitr', -1.0), ('6MELACAChep', 0), ('6MELVACIDitr', -1.0), ('6MELVACtbc', 1), ('6MELVSTitr', -1.0), ('6MELVSTthep', -1.0), ('6MSMVhep', 0), ('6OHFVSGLUhc', -1.0), ('6OHFVSGLUitr', -1.0), ('6OHFVSGLUtev', -1.0), ('6OHFVShc', 0), ('6OHFVSitr', -1.0), ('6OHFVSteb', -1.0), ('7AHGLZABCt', -1.0), ('7AHGLZhr', -1.0), ('7AHGLZitr', -1.0), ('7AHGLZtev', -1.0), ('7BHGLZABCt', -1.0), ('7BHGLZGLCABCt', -1.0), ('7BHGLZGLChr', -1.0), ('7BHGLZGLCitr', -1.0), ('7BHGLZGLCtev', -1.0), ('7BHGLZhr', 0), ('7BHGLZitr', -1.0), ('7BHGLZtev', -1.0), ('7HPVShc', 0), ('7HPVSitr', -1.0), ('7HPVSteb', 0), ('7HPVStev', -1.0), ('ACMPdt', -1.0), ('ACMPGLUChr', 0), ('ACMPGLUitr', -1.0), ('ACMPGLUTdt', -1.0), ('ACMPGLUtep', 0), ('ACMPGLUthc', 0), ('ACMPGLUTitr', -1.0), ('ACMPGLUTtep', 0), ('ACMPGLUTthc', 0), ('ACMPGLUTTRsc', -1.0), ('ACMPitr', -1.0), ('ACMPShc', 0), ('ACMPthc', 0), ('ACMPtu', 1), ('ALLOP1tu', 0), ('ALLOP2tu', 0), ('ALLOPOXDhep', 0), ('ALLOPtepvb', 0), ('AM19CSALThr', 0), ('AM19CShr', -1.0), ('AM19CSitr', -1.0), ('AM19CSteb', -1.0), ('Am19CStev', -1.0), ('AM1A4NCShc', -1.0), ('AM1A4NCSteb', -1.0), ('AM1ACCShr', -1.0), ('AM1ACCSitr', -1.0), ('AM1ACCStev', -1.0), ('AM1ACShr', -1.0), ('AM1ACSitr', -1.0), ('AM1ACSteb', -1.0), ('AM1ACStep', -1.0), ('AM1ALCShr', -1.0), ('AM1ALCSitr', -1.0), ('AM1ALCSteb', -1.0), ('AM1ALCStep', -1.0), ('AM1C4N9CShc', -1.0), ('AM1C4N9CSteb', -1.0), ('AM1C9CShr', -1.0), ('AM1C9CSitr', -1.0), ('AM1C9CSteb', -1.0), ('AM1C9CStev', -1.0), ('AM1CCShr', -1.0), ('AM1CCSitr', -1.0), ('AM1CCSteb', -1.0), ('AM1CCStev', -1.0), ('AM1CGLChr', -1.0), ('AM1CGLCitr', -1.0), ('AM1CGLCteb', -1.0), ('AM1CSAhr', 0), ('AM1CSAitr', -1.0), ('Am1CSAteb', -1.0), ('AM1CSAtep', -1.0), ('AM4N9CShc', -1.0), ('AM4N9CShr', -1.0), ('AM4N9CSitr', -1.0), ('AM4N9CStev', -1.0), ('AM4NC9CSteb', -1.0), ('AM4NCShr', -1.0), ('AM4NCSitr', -1.0), ('AM4NCSteb', -1.0), ('AM4NCStep', -1.0), ('AM9CSAhr', 0), ('AM9CSAitr', -1.0), ('AM9CSAteb', -1.0), ('AM9CSAtep', -1.0), ('ATVACIDhc', 0), ('ATVACIDhr', -1.0), ('ATVACIDitr', -1.0), ('ATVACIDMCTtu', 1), ('ATVACIDOATPtu', 0), ('ATVACIDtdu', -1.0), ('ATVACIDtu', 1), ('ATVACYLGLUChc', 0), ('ATVETHGLUChc', 0), ('ATVLACGLCURhc', 0), ('ATVLACh2r', -1.0), ('ATVLAChc', -1.0), ('ATVLAChr', -1.0), ('ATVLACitr', -1.0), ('ATVLACtdhc', -1.0), ('ATVLACThc', 0), ('ATVLACtu', 1), ('CARBIBUP_SGLUthv', -1.0), ('CARIBUP_Rthv', -1.0), ('CARIBUP_SGLUhep', 0), ('CARIBUP_Sitr', -1.0), ('CARIBUP_Sthv', -1.0), ('CARIBUPGLU_Sitr', -1.0), ('CRGLZABCt', -1.0), ('CRGLZhr', -1.0), ('CRGLZitr', -1.0), ('CRGLZtev', -1.0), ('CRVS1M24hc', 0), ('CRVS1tev', -1.0), ('CRVS23M24hc', 0), ('CRVSATPthc', -1.0), ('CRVSATPtu', 1), ('CRVSitr', -1.0), ('CRVSM1hc', 0), ('CRVSM1hr', 1), ('CRVSM1SPhc', -1.0), ('CRVSM1teb', 0), ('CRVSM22hc', -1.0), ('CRVSM22itr', -1.0), ('CRVSM23hc', 0), ('CRVSM23hr', 1), ('CRVSM23teb', 0), ('CRVSM23tev', -1.0), ('CRVSM24itr', -1.0), ('CRVSM24teb', 0), ('CRVSM24tev', -1.0), ('CRVSM31hc', -1.0), ('CRVSM31itr', -1.0), ('CRVSthc', 0), ('CRVStu', -1.0), ('CSAitr', -1.0), ('CSASULPhc', -1.0), ('CSASULPteb', -1.0), ('CSASULPtev', -1.0), ('CSAtd', -1.0), ('CSAtu', 1), ('CVM1GLUChc', 0), ('CVM23GLUChc', 0), ('CYSACMPAChc', -1.0), ('CYSACMPitr', -1.0), ('CYSAMPtev', -1.0), ('DELACCRVSM23hc', -1.0), ('DEOXFVShc', 1), ('DEOXFVSitx', -1.0), ('DEOXFVStev', -1.0), ('DESFVShc', 0), ('DESFVSitr', -1.0), ('DESFVSteb', -1.0), ('DHGLZABCt', -1.0), ('DHGLZhc', -1.0), ('DHGLZtev', -1.0), ('DSPVShc', 0), ('DSPVSitr', -1.0), ('DSPVSteb', 0), ('DSPVStev', -1.0), ('EPOXTAChr', -1.0), ('EPOXTACitr', -1.0), ('EPOXTACteb', -1.0), ('EPOXTACtev', -1.0), ('FVSCOAhc', -1.0), ('FVSCOAitx', -1.0), ('FVSGLUChc', -1.0), ('FVShc', -1.0), ('FVSitr', -1.0), ('FVSitx', -1.0), ('FVSteb', -1.0), ('FVStep', -1.0), ('FVSTETGLUhc', -1.0), ('FVSTETGLUitr', -1.0), ('FVSTETGLUtev', -1.0), ('FVSTETitr', -1.0), ('FVSTETtev', -1.0), ('FVStu', 0), ('GLC3MEACPhr', 0), ('GLC3MEACPitr', -1.0), ('GLC3MEACPtev', -1.0), ('GLYitr', -1.0), ('GLZABCteb', -1.0), ('GLZitr', -1.0), ('GLZtd', -1.0), ('GTACMPhr', -1.0), ('GTACMPitr', -1.0), ('GTACMPtev', -1.0), ('H2O2itr', -1.0), ('IBUP_RASCL1hep', 1), ('IBUP_RCYP2hep', 0), ('IBUP_RCYP3hep', 0), ('IBUP_RCYPCARhep', 0), ('IBUP_Ritr', -1.0), ('IBUP_Rshep', 0), ('IBUP_Rtdhep', -1.0), ('IBUP_Rtdu', -1.0), ('IBUP_SACOT2', 0), ('IBUP_SCONJhep', -1.0), ('IBUP_SCYP1hep', 0), ('IBUP_SCYP2hep', 0), ('IBUP_SCYP3hep', 0), ('IBUP_SCYPCARhep', 0), ('IBUP_Sitr', -1.0), ('IBUP_Stbc', -1.0), ('IBUP_Stdhep', -1.0), ('IBUP_Stdu', -1.0), ('IBUPGLUCitr', -1.0), ('IBUPGLUCtchep', -1.0), ('IBUPGLUCtpvb', -1.0), ('IBUPGT_HEP', 0), ('ISOLVSTAChep', -1.0), ('ISOLVSTtbc', 1), ('LST4EXPhr', 0), ('LST4EXPitr', -1.0), ('LST4EXPTDhc', -1.0), ('LST4EXPthc', -1.0), ('LSTN1GLUChr', 0), ('LSTN1GLUCitr', -1.0), ('LSTN1GLUCtev', -1.0), ('LSTNitr', -1.0), ('LSTNM1hr', 0), ('LSTNM1itr', -1.0), ('LSTNM1tev', -1.0), ('LSTNM2hr', 0), ('LSTNM2itr', -1.0), ('LSTNM2tev', -1.0), ('LSTNM4hr', -1.0), ('LSTNM4itr', -1.0), ('LSTNM4tev', -1.0), ('LSTNM5hr', 0), ('LSTNM5itr', -1.0), ('LSTNM5tev', -1.0), ('LSTNM7hr', 0), ('LSTNM7itr', -1.0), ('LSTNM7TDhc', -1.0), ('LSTNM7thc', -1.0), ('LSTNRATt', -1.0), ('LSTNtd', -1.0), ('LSTNtu', 1), ('LVACLAChep', -1.0), ('LVSTACIDhep', 0), ('LVSTACIDitr', -1.0), ('LVSTACIDtu', 1), ('LVSTACOXD6Hhep', 0), ('LVSTACOXD6MEhep', 0), ('LVSTitr', -1.0), ('LVSTOXD3Hhep', 0), ('LVSTOXD6Hhep', 0), ('LVSTOXD6METhep', 0), ('LVSTPGPtu', 1), ('LVSTtu', -1.0), ('MDZGLChr', -1.0), ('MDZGLCitr', -1.0), ('MDZGLCtev', -1.0), ('MDZitr', -1.0), ('MDZtd', -1.0), ('MDZtu', 1), ('MERACMPtep', 0), ('MERACMPthc', 0), ('MHGLZABCt', -1.0), ('MHGLZhr', 0), ('MHGLZitr', -1.0), ('MHGLZtev', -1.0), ('NAPQIhr', -1.0), ('NDERSVhc', 0), ('NDERSVitr', -1.0), ('NDERSVteb', 0), ('NFDACitr', -1.0), ('NFDACOXDhc', 0), ('NFDACtep', -1.0), ('NFDDMEThr', -1.0), ('NFDLAChc', -1.0), ('NFDLACtep', -1.0), ('NFDNPYitr', -1.0), ('NFDNPYtep', -1.0), ('NFDOHitr', -1.0), ('NFDOHtep', -1.0), ('NFDOXDhc', -1.0), ('NFDtd', -1.0), ('OXYP1CONJ', -1.0), ('OXYP2CONJ', -1.0), ('OXYPR1tehv', -1.0), ('OXYPR7tehv', -1.0), ('OXYPtepv', -1.0), ('OXYPthc', 0), ('PAPitr', -1.0), ('PAPSitr', -1.0), ('PROFVSCOAhc', 1), ('PROFVSCOAitx', -1.0), ('PROFVShc', -1.0), ('PROFVStev', -1.0), ('PTVSTATPtu', 0), ('PTVSTGLUChc', 0), ('PTVSThc', 0), ('PTVSTitr', -1.0), ('PTVSTLAChc', -1.0), ('PTVSTLACitr', -1.0), ('PTVSTLACtev', -1.0), ('PTVSTM13hr', 0), ('PTVSTM13itr', -1.0), ('PTVSTM13te', -1.0), ('PTVSTM3eb', 0), ('PTVSTM3hc', 0), ('PTVSTM3itr', -1.0), ('PTVSTtep', -1.0), ('PTVSTtu', 0), ('PVSATPtu', 0), ('PVSGLUChc', -1.0), ('PVSGLUCitr', -1.0), ('PVSGLUCteb', 0), ('PVSGLUCtev', -1.0), ('PVSHtu', -1.0), ('PVSitr', -1.0), ('PVSOATPtu', 0), ('PVStep', -1.0), ('RSVATPtu', 0), ('RSVGLUChc', -1.0), ('RSVhc', -1.0), ('RSVitr', -1.0), ('RSVLAChv', -1.0), ('RSVLACitr', -1.0), ('RSVLACteb', 0), ('RSVSPONhc', 0), ('RSVtev', -1.0), ('RSVtu', 0), ('S3MEACMPhc', -1.0), ('S3MEACMPtev', -1.0), ('SMVACIDATPteb', 1), ('SMVACIDhep', 1), ('SMVACIDitr', -1.0), ('SMVACIDtev', -1.0), ('SMVGLUChep', 0), ('SMVGLUCLAChep', -1.0), ('SMVHYDROhep', 0), ('SMVitr', -1.0), ('SMVLAChep', -1.0), ('SMVthep', 0), ('SMVtu', 1), ('SMVtv', -1.0), ('STACMPhc', -1.0), ('STACMPtev', -1.0), ('SULPACMPtev', 0), ('TACRDtsc', -1.0), ('TACRitr', -1.0), ('TACRtu', 1), ('TAURIBUP_Sthv', -1.0), ('THRFVShc', -1.0), ('THRFVStev', -1.0), ('THSACMPhr', -1.0), ('THSACMPitr', -1.0), ('TLACFVShc', -1.0), ('TLACFVSitr', -1.0), ('TLACFVStev', -1.0), ('TMACMPhr', -1.0), ('TMACMPitr', -1.0), ('TMDitr', -1.0), ('TMDM1hr', 0), ('TMDM1itr', -1.0), ('TMDM1OATt', -1.0), ('TMDM3hr', -1.0), ('TMDM3itr', -1.0), ('TMDM3OATt', -1.0), ('TMDM5hr', 0), ('TMDM5itr', -1.0), ('TMDM5OATt', -1.0), ('TMDOATPtsc', -1.0), ('TMDOATtev', -1.0), ('TMDOATthc', 0), ('TMDtd', -1.0), ('TRIPVShc', 0), ('TRIPVSitr', -1.0), ('TRIPVSteb', 0), ('TRIPVStev', -1.0), ('TSACGLUCtev', -1.0), ('TSACMGLUChr', -1.0), ('TSACMGLUCitr', -1.0), ('TSACMSULhc', -1.0), ('TSACMSULtev', -1.0), ('UDPRIBc', -1.0), ('15KPROSTGF2c', 0), ('ALOX12', 0), ('ALOX15', 0), ('ALOX5', 0), ('ALOX52', 0), ('CBR2', 0), ('GGT5r', 0), ('GGT6', -1.0), ('HMR_1305', 0), ('HMR_1307', 0), ('HMR_1312', 1), ('HMR_1315', -1.0), ('HMR_1317', -1.0), ('HMR_1318', -1.0), ('HMR_1321', 0), ('HMR_1325', 0), ('HMR_1329', 0), ('HMR_1332', -1.0), ('HMR_1373', -1.0), ('HMR_1388', 0), ('HMR_1390', 0), ('LTA4H', 1), ('LTC4CP', -1.0), ('LTC4Sr', 0), ('LTD4DP', -1.0), ('P4504B1r', 0), ('P4504F121r', 0), ('P4504F122r', 0), ('P4504F81r', 0), ('P450LTB4r', -1.0), ('PGDI', 0), ('PGDIr', 0), ('PGESr', 0), ('PGISr', 0), ('PGS', 0), ('PGSr', 0), ('RE1077C', -1.0), ('RE1978C', -1.0), ('RE2069C', -1.0), ('RE2078M', -1.0), ('RE2079R', -1.0), ('RE2080C', -1.0), ('RE2799C', -1.0), ('RE2958C', -1.0), ('RE3010C', 0), ('RE3010M', 0), ('RE3010X', 0), ('RE3011M', 0), ('RE3011R', -1.0), ('RE3012C', 1), ('RE3012M', 0), ('RE3012R', 0), ('RE3014R', 0), ('RE3015R', 0), ('RE3016R', -1.0), ('RE3017R', -1.0), ('RE3307C', 0), ('RE3421R', -1.0), ('RE3422C', -1.0), ('RE3423C', -1.0), ('RE3430C', 0), ('RE3430M', -1.0), ('RE3430X', -1.0), ('RE3431C', -1.0), ('RE3432C', 0), ('RE3432M', 0), ('RE3432X', 0), ('RE3434C', -1.0), ('RE3435C', -1.0), ('RE3436C', -1.0), ('RE3437C', -1.0), ('RE3477C1', -1.0), ('RE3485C', -1.0), ('RE3486C', -1.0), ('RE3488C', -1.0), ('RE3488R', 0), ('RE3490C', -1.0), ('RE3491C', -1.0), ('RE3493C', -1.0), ('RE3496C', -1.0), ('RE3524R', -1.0), ('RE3556C', -1.0), ('RE3565C', -1.0), ('RE3566C', -1.0), ('RE3567C', -1.0), ('RE3568C', -1.0), ('RE3570C', -1.0), ('RE3587C', -1.0), ('RE3597C', 0), ('RE3597M', 0), ('RE3597X', 0), ('TXASr', 0), ('TXB2c', -1.0), ('ACER12r', 0), ('ACER21g', 0), 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('EX_2hatvlacgluc[e]', -1.0), ('EX_2hb[e]', -1.0), ('EX_2hibup_R[e]', -1.0), ('EX_2hibup_S[e]', -1.0), ('EX_2hibupglu_S[e]', -1.0), ('EX_2hiv[e]', -1.0), ('EX_2hyoxplac[e]', -1.0), ('EX_2m3hbu[e]', -1.0), ('EX_2m3hvac[e]', -1.0), ('EX_2mcit[e]', -1.0), ('EX_2obut[e]', -1.0), ('EX_2oxoadp[e]', -1.0), ('EX_2pg[e]', -1.0), ('EX_31dmt[e]', -1.0), ('EX_34dhoxmand[e]', -1.0), ('EX_34dhoxpeg[e]', -1.0), ('EX_34dhpe[c]', -1.0), ('EX_34dhpha[e]', -1.0), ('EX_34dhphe[e]', -1.0), ('EX_34hpl[e]', -1.0), ('EX_34hpp[e]', -1.0), ('EX_35cgmp[e]', -1.0), ('EX_35dhpvs[e]', -1.0), ('EX_35diotyr[e]', -1.0), ('EX_35dsmv[e]', -1.0), ('EX_3aib[e]', -1.0), ('EX_3aib_D[e]', -1.0), ('EX_3bcrn[e]', -1.0), ('EX_3ddcrn[e]', -1.0), ('EX_3deccrn[e]', -1.0), ('EX_3dhcdchol[e]', -1.0), ('EX_3dhchol[e]', -1.0), ('EX_3dhdchol[e]', -1.0), ('EX_3dhlchol[e]', -1.0), ('EX_3h3mglt[e]', -1.0), ('EX_3hadpac[e]', -1.0), ('EX_3hanthrn[e]', -1.0), ('EX_3hdececrn[e]', -1.0), ('EX_3hexdcrn[e]', -1.0), ('EX_3hibup_R[e]', -1.0), ('EX_3hibup_S[e]', -1.0), ('EX_3hibupglu_S[e]', -1.0), ('EX_3hivac[e]', -1.0), ('EX_3hlvstacid[e]', -1.0), ('EX_3hmp[e]', -1.0), ('EX_3hpp[e]', -1.0), ('EX_3hpppn[e]', -1.0), ('EX_3hpppnohgluc[e]', -1.0), ('EX_3hpvs[e]', -1.0), ('EX_3hpvstet[e]', -1.0), ('EX_3hsmvacid[e]', -1.0), ('EX_3ispvs[e]', -1.0), ('EX_3ityr_L[e]', -1.0), ('EX_3ivcrn[e]', -1.0), ('EX_3mglutac[e]', -1.0), ('EX_3mglutr[e]', -1.0), ('EX_3mhis[e]', -1.0), ('EX_3mlda[e]', -1.0), ('EX_3mob[e]', -1.0), ('EX_3mop[e]', -1.0), ('EX_3mox4hoxm[e]', -1.0), ('EX_3moxtyr[e]', -1.0), ('EX_3mtp[e]', -1.0), ('EX_3octdec2crn[e]', -1.0), ('EX_3octdeccrn[e]', -1.0), ('EX_3octdece1crn[e]', -1.0), ('EX_3ohacmp[e]', -1.0), ('EX_3ohglutac[e]', -1.0), ('EX_3ohsebac[e]', -1.0), ('EX_3ohsubac[e]', -1.0), ('EX_3pg[e]', -1.0), ('EX_3tdcrn[e]', -1.0), ('EX_3tetd7ecoacrn[e]', -1.0), ('EX_3thexddcoacrn[e]', -1.0), ('EX_3ttetddcoacrn[e]', -1.0), ('EX_3uib[e]', -1.0), ('EX_3ump[e]', -1.0), ('EX_4aabutn[e]', -1.0), ('EX_4abut[e]', -1.0), ('EX_4abutn[e]', -1.0), ('EX_4bhglz[e]', -1.0), ('EX_4glu56dihdind[e]', -1.0), ('EX_4hatvacid[e]', -1.0), ('EX_4hatvlac[e]', -1.0), ('EX_4hbz[e]', -1.0), ('EX_4hdebrisoquine[e]', -1.0), ('EX_4hmdgluc[e]', -1.0), ('EX_4hphac[e]', -1.0), ('EX_4hpro[e]', -1.0), ('EX_4mop[e]', -1.0), ('EX_4mptnl[e]', -1.0), ('EX_4mtolbutamide[e]', -1.0), ('EX_4nph[e]', -1.0), ('EX_4nphsf[e]', -1.0), ('EX_4ohbut[e]', -1.0), ('EX_4ohmdz[e]', -1.0), ('EX_4pyrdx[e]', -1.0), ('EX_4tmeabutn[e]', -1.0), ('EX_56dhpvs[e]', -1.0), ('EX_56dthm[e]', -1.0), ('EX_56dura[e]', -1.0), ('EX_56eppvs[e]', -1.0), ('EX_5a2opntn[e]', -1.0), ('EX_5adtststerone[e]', -1.0), ('EX_5adtststeroneglc[e]', -1.0), ('EX_5adtststerones[e]', -1.0), ('EX_5aop[e]', -1.0), ('EX_5cysdopa[e]', -1.0), ('EX_5dhf[e]', -1.0), ('EX_5eipenc[e]', -1.0), ('EX_5fthf[e]', -1.0), ('EX_5g2oxpt[e]', -1.0), ('EX_5homeprazole[e]', -1.0), ('EX_5hoxindoa[e]', -1.0), ('EX_5HPET[e]', -1.0), ('EX_5htrp[e]', -1.0), ('EX_5mta[e]', -1.0), ('EX_5mthf[e]', -1.0), ('EX_5ohfvs[e]', -1.0), ('EX_5ohfvsglu[e]', -1.0), ('EX_5ohhexa[e]', -1.0), ('EX_5oxpro[e]', -1.0), ('EX_5thf[e]', -1.0), ('EX_6ahglz[e]', -1.0), ('EX_6bhglz[e]', -1.0), ('EX_6bhglzglc[e]', -1.0), ('EX_6csmvacid[e]', -1.0), ('EX_6dhf[e]', -1.0), ('EX_6epvs[e]', -1.0), ('EX_6hlvst[e]', -1.0), ('EX_6hmsmvacid[e]', -1.0), ('EX_6hoxmelatn[e]', -1.0), ('EX_6hsmvacid[e]', -1.0), ('EX_6htststerone[e]', -1.0), ('EX_6melvacid[e]', -1.0), ('EX_6melvst[e]', -1.0), ('EX_6ohfvs[e]', -1.0), ('EX_6ohfvsglu[e]', -1.0), ('EX_6thf[e]', -1.0), ('EX_7ahglz[e]', -1.0), ('EX_7bhglz[e]', -1.0), ('EX_7bhglzglc[e]', -1.0), ('EX_7dhcdchol[e]', -1.0), ('EX_7dhchol[e]', -1.0), ('EX_7dhchsterol[e]', -1.0), ('EX_7dhf[e]', -1.0), ('EX_7hpvs[e]', -1.0), ('EX_7klitchol[e]', -1.0), ('EX_7ohocata[e]', -1.0), ('EX_7thf[e]', -1.0), ('EX_9_cis_retfa[e]', -1.0), ('EX_aact[e]', -1.0), ('EX_abt[e]', -1.0), ('EX_abt_D[e]', -1.0), ('EX_ac[e]', -1.0), ('EX_acac[e]', -1.0), ('EX_acald[e]', -1.0), ('EX_acetone[e]', -1.0), ('EX_acgal[e]', -1.0), ('EX_acgalfucgalacgalfuc12gal14acglcgalgluside_hs[e]', -1.0), ('EX_acgalfucgalacgalfucgalacglcgal14acglcgalgluside_hs[e]', -1.0), ('EX_acgam[e]', -1.0), ('EX_acglu[e]', -1.0), ('EX_acgly[e]', -1.0), ('EX_ach[e]', -1.0), ('EX_achom_L[e]', -1.0), ('EX_acile_L[e]', -1.0), ('EX_acleu_L[e]', -1.0), ('EX_aclys[e]', -1.0), ('EX_acmana[e]', -1.0), ('EX_acmp[e]', -1.0), ('EX_acmpglu[e]', -1.0), ('EX_acmpglut[e]', -1.0), ('EX_acn13acngalgbside_hs[e]', -1.0), ('EX_acn23acngalgbside_hs[e]', -1.0), ('EX_acnacngal14acglcgalgluside_hs[e]', -1.0), ('EX_acnacngalgbside_hs[e]', -1.0), ('EX_acnam[e]', -1.0), ('EX_acngalacglcgal14acglcgalgluside_hs[e]', -1.0), ('EX_acorn[e]', -1.0), ('EX_acrn[e]', -1.0), ('EX_acthr_L[e]', -1.0), ('EX_actyr[e]', -1.0), ('EX_ade[e]', -1.0), ('EX_adn[e]', -1.0), ('EX_adp[e]', -1.0), ('EX_adpac[e]', -1.0), ('EX_adpman[e]', -1.0), ('EX_adpoh[e]', -1.0), ('EX_adprbp[e]', -1.0), ('EX_adprib[e]', -1.0), ('EX_adrn[e]', -1.0), ('EX_adrnl[e]', -1.0), ('EX_aflatoxin[e]', -1.0), ('EX_agm[e]', -1.0), ('EX_ahandrostan[e]', -1.0), ('EX_ahandrostanglc[e]', -1.0), ('EX_ahcys[e]', -1.0), ('EX_ahdt[e]', -1.0), ('EX_aicar[e]', -1.0), ('EX_ak2lgchol_hs[e]', -1.0), ('EX_akg[e]', -1.0), ('EX_ala_B[e]', -1.0), ('EX_ala_D[e]', -1.0), ('EX_ala_L[e]', -1.0), ('EX_alaala[e]', -1.0), ('EX_alaargcys[e]', -1.0), ('EX_alaarggly[e]', -1.0), ('EX_alaasnleu[e]', -1.0), ('EX_alaglylys[e]', -1.0), ('EX_alahisala[e]', -1.0), ('EX_alalysthr[e]', -1.0), ('EX_aldstrn[e]', -1.0), ('EX_allop[e]', -1.0), ('EX_alltn[e]', -1.0), ('EX_am19cs[e]', -1.0), ('EX_am1a4ncs[e]', -1.0), ('EX_am1accs[e]', -1.0), ('EX_am1acs[e]', -1.0), ('EX_am1alcs[e]', -1.0), ('EX_am1c4n9cs[e]', -1.0), ('EX_am1c9cs[e]', -1.0), ('EX_am1ccs[e]', -1.0), ('EX_am1cglc[e]', -1.0), ('EX_am1csa[e]', -1.0), ('EX_am4n9cs[e]', -1.0), ('EX_am4ncs[e]', -1.0), ('EX_am9csa[e]', -1.0), ('EX_amet[e]', -1.0), ('EX_ametam[e]', -1.0), ('EX_amp[e]', -1.0), ('EX_and19one[e]', -1.0), ('EX_andrstandn[e]', -1.0), 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('ESTR2r', -1.0), ('ESTRr', -1.0), ('ESTSULT', 0), ('HMR_1644', 0), ('HMR_1651', 1), ('HMR_1927', 0), ('HMR_1928', 0), ('HMR_1929', 0), ('HMR_1940', 0), ('HMR_1941', 0), ('HMR_1948', 0), ('HMR_1949', 0), ('HMR_1979', 0), ('HMR_1980', 0), ('HMR_1981', 0), ('HMR_1988', 0), ('HMR_1989', 0), ('HMR_1990', 0), ('HMR_1991', 0), ('HMR_1992', 0), ('HMR_1993', 0), ('HMR_1996', 0), ('HMR_2002', -1.0), ('HMR_2007', 0), ('HMR_2010', 0), ('HMR_2011', 0), ('HMR_2041', 1), ('HSD11B1r', 0), ('HSD11B2r', 0), ('HSD17B1', 0), ('HSD17B2r', 0), ('HSD17B3r', 0), ('HSD17B7r', 0), ('HSD17B8r', 0), ('HSD17B9r', 0), ('HSD3A1r', 0), ('HSD3A2r', 0), ('HSD3B11', 0), ('HSD3B11r', 0), ('HSD3B12r', 0), ('HSD3B13', 0), ('HSD3B13r', 0), ('HSD3B2r', 0), ('HSD3B3r', 0), ('P45011A1m', 0), ('P45011B11m', 0), ('P45011B12m', 0), ('P45011B21m', 0), ('P45017A1r', 0), ('P45017A2r', 0), ('P45017A3r', 0), ('P45017A4r', 0), ('P45019A1r', 0), ('P45019A2r', 0), ('P4501B1r', 0), ('P45021A1r', 0), ('P45021A2r', 0), ('P4503A43r', 0), ('P4503A7r', 0), ('PRGNLONESULT', 0), ('RE1096C', -1.0), ('RE1099C', 0), ('RE1100C', 0), ('RE1100R', 0), ('RE1134C', -1.0), ('RE1135C', 0), ('RE1135R', 0), ('RE2766C', 0), ('SR5AR2r', 0), ('SR5ARr', 0), ('STS1', 0), ('STS1r', 0), ('STS2', 0), ('STS2r', 0), ('TSTSTERONESULT', 0), ('UGT1A10r', 0), ('UGT1A1r', 0), ('UGT1A2r', 0), ('UGT1A3r', 0), ('UGT1A4r', 0), ('UGT1A6r', 0), ('UGT1A7r', 0), ('UGT1A8r', 0), ('UGT1A9r', 0), ('3SALACBOXL', 0), ('3SALAOX', -1.0), ('CYSO', 0), ('HYPTROX', -1.0), ('LCYSTCBOXL', 0), ('r0381', -1.0), ('r0539', 0), ('TAURtcx', 1), ('DHPR', 0), ('DHPR2', -1.0), ('GTPCI', 1), ('HMR_4816', 0), ('PTHPS', 1), ('r0398', 0), ('r0399', 0), ('r0402', 0), ('r0403', 0), ('r0673', 0), ('RE0830C', -1.0), ('RE0830N', 0), ('RE1709C', -1.0), ('RE1709N', 0), ('RE2660C', -1.0), ('RE2660N', 0), ('SPR', 0), ('THBPT4ACAMDASE', 0), ('TDP', -1.0), ('TDPm', -1.0), ('THMP', -1.0), ('THMTP', 0), ('TMDPK', 0), ('TMDPPK', -1.0), ('DCATDr', -1.0), ('DOCOSACTDr', -1.0), ('DOCOSADIACTD', -1.0), ('HEXDIACtr', -1.0), ('HEXDICOAACBP', 1), ('OMHDEACIDTD', -1.0), ('OMHDOCOSACTD', -1.0), ('OMHPALTD', -1.0), ('11DOCRTSLtr', -1.0), ('11DOCRTSTRNtr', -1.0), ('12HARACHDtr', -1.0), ('18HARACHDtr', -1.0), ('5ADTSTSTERONEGLCtr', -1.0), ('5ADTSTSTERONEtr', -1.0), ('6HTSTSTERONEtr', -1.0), ('7DHCHSTEROLtr', -1.0), ('ACALDtr', -1.0), ('ACCOAtr', 0), ('AHANDROSTANGLCtr', -1.0), ('AHANDROSTANtr', -1.0), ('AHCYStr', -1.0), ('AMETr', -1.0), ('ANDRSTANDRtr', -1.0), ('ANDRSTRNGLCtr', -1.0), ('ANDRSTRNtr', -1.0), ('ARACHDtr', -1.0), ('ATP1ter', -1.0), ('ATP2ter', -1.0), ('BILDGLCURtr', -1.0), ('BILGLCURtr', -1.0), ('BILIRUBtr', -1.0), ('BZtr', -1.0), ('C03990tr', -1.0), ('CBPter', -1.0), ('CE7081tr', -1.0), ('CERT1rt', 1), ('CERT2rt', 1), ('CHOLtr', -1.0), ('CHSTEROLtrc', -1.0), ('CO2ter', -1.0), ('COAtr', -1.0), ('COKEtr', -1.0), ('CORTSNti', -1.0), ('CRTSLtr', -1.0), ('DAG_HSter', -1.0), ('DHCRMter', -1.0), ('DHEAtr', -1.0), ('DSMSTEROLtr', -1.0), ('EANDRSTRNtr', -1.0), ('EBASTINEOHtr', -1.0), ('EBASTINEtr', -1.0), ('EGMEtr', -1.0), ('ESTRADIOLGLCtr', -1.0), ('ESTRADIOLtr', -1.0), ('ESTRIOLGLCtr', -1.0), ('ESTRIOLtr', -1.0), ('ESTRONEGLCtr', -1.0), ('ESTRONEtr', -1.0), ('FADH2tru', -1.0), ('FADtru', -1.0), ('FORtr', -1.0), ('FRDPtcr', -1.0), ('G6Pter', 0), ('GACPAILter', -1.0), ('GALSIDEter', -1.0), ('GLACter', -1.0), ('GLCter', -1.0), ('GLCURter', -1.0), ('GLUtr', -1.0), ('GTHRDtr', -1.0), ('GULLACter', -1.0), ('GULNter', -1.0), ('H2Oter', -1.0), ('HC02020tr', -1.0), ('HDCAter', -1.0), ('HESTRATRIOLtr', -1.0), ('HMR_0020', -1.0), ('HMR_0467', -1.0), ('HMR_0771', -1.0), ('HMR_0966', -1.0), ('HMR_1306', -1.0), ('HMR_1311', -1.0), ('HMR_1316', -1.0), ('HMR_1331', -1.0), ('HMR_1392', 0), ('HMR_1631', 0), ('HMR_2569', -1.0), ('HMR_2817', 0), ('HMR_2819', 0), ('HMR_2821', 0), ('HMR_2827', 0), ('HMR_2851', 0), ('HMR_2852', 0), ('HMR_2857', 0), ('HMR_2859', 0), ('HMR_2861', 0), ('HMR_2862', 0), ('HMR_2865', 0), ('HMR_2866', 0), ('HMR_2884', 0), ('HMR_2886', 0), ('HMR_2888', 0), ('HMR_2890', 0), ('HMR_3953', -1.0), ('HMR_6385', 0), ('HMR_6629', -1.0), ('HMR_7257', -1.0), ('HMR_7944', -1.0), ('HMR_7947', -1.0), ('HMR_7949', -1.0), ('HMR_9177', -1.0), ('HMR_9625', -1.0), ('HMR_9626', -1.0), ('HMR_9627', -1.0), ('HMR_9628', -1.0), ('HMR_9629', -1.0), ('HMR_9630', -1.0), ('HMR_9631', -1.0), ('HMR_9634', -1.0), ('HMR_9716', -1.0), ('HPETFABP1tc', 0), ('Htr', -1.0), ('LANOSTtr', -1.0), ('LEUKTRA4tr', -1.0), ('LEUKTRB4tr', -1.0), ('LEUKTRD4tr', -1.0), ('LTHSTRLtr', -1.0), ('NADHtru', -1.0), ('NADPHtru', -1.0), ('NADPtru', -1.0), ('NADtru', -1.0), ('NH4tr', -1.0), ('O2ter', -1.0), ('OCDEAFABP1tc', 0), ('PA_HSter', -1.0), ('PCHOL_HSter', -1.0), ('PE_HSter', -1.0), ('PEHSFABPe', 0), ('PHCRMter', -1.0), ('PHSPHINGStr', -1.0), ('PIter', 0), ('PMTCOAFABP1tc', 0), ('PPItr', -1.0), ('PRGNLONEtr', -1.0), ('PROSTGE2t2r', -1.0), ('PROSTGI2tr', -1.0), ('r0002', -1.0), ('r0826', -1.0), ('r0840', -1.0), ('r0841', -1.0), ('r0842', -1.0), ('r0845', 1), ('r0886', -1.0), ('r0908', 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-1.0), ('WHARACHDtr', -1.0), ('WHTSTSTERONEtr', -1.0), ('XOL24OHtr', -1.0), ('XOL25OHtr', -1.0), ('XOL7AONEtr', -1.0), ('XOLDIOLONEt', -1.0), ('XOLTRI24tc', -1.0), ('XOLTRI25tc', -1.0), ('XOLTRI27tc', -1.0), ('BCRNe', -1.0), ('C101CRNe', -1.0), ('C10CRNe', -1.0), ('C10DCe', -1.0), ('C12DCe', -1.0), ('C141OHe', -1.0), ('C142OHe', -1.0), ('C162OHe', -1.0), ('C16DCe', -1.0), ('C3DCe', -1.0), ('C4CRNe', -1.0), ('C4DCe', -1.0), ('C5DCe', -1.0), ('C6CRNe', -1.0), ('C6DCe', -1.0), ('C81CRNe', -1.0), ('C8CRNe', -1.0), ('C8DCe', -1.0), ('DCATDc', 0), ('DDCRNe', -1.0), ('DDECCRNe', -1.0), ('DDECE1CRNe', -1.0), ('DECCRNe', -1.0), ('DECDICRNe', -1.0), ('DOCOSACTDe', -1.0), ('DOCOSDIACTD', -1.0), ('HEDCECRNe', -1.0), ('HEXDCRNe', -1.0), ('HIVCRNe', -1.0), ('HOCTDEC2CRNe', -1.0), ('HOCTDECCRNe', -1.0), ('HTDCRNe', -1.0), ('IVCRNe', -1.0), ('LCAT1e', 0), ('LPS2e', 0), ('LPS3e', 0), ('OCTDECE1CRNe', -1.0), ('TDCRNe', -1.0), ('TETDEC2CRNe', -1.0), ('TETDECE1CRNe', -1.0), ('TIGCRNe', -1.0), ('11DOCRTSLte', 1), ('11DOCRTSTRNte', 1), ('12DHCHOLabc', 0), ('12DHCHOLt', 0), ('12DHCHOLt2', 0), ('12HARACHDte', -1.0), ('12HPETATP', -1.0), ('12HPETUPKt', -1.0), ('12PPDRte', -1.0), ('13_CIS_RETNte', -1.0), ('13DAMPPte', 0), ('15HPETATP', -1.0), ('15HPETUPKt', -1.0), ('15KPROSTGF2t', -1.0), ('17AHPRGNLONEte', 1), ('17AHPRGSTRNte', 1), ('18HARACHDte', -1.0), ('1A25DHVITD3te', 0), ('1A25HVITD2t', -1.0), ('1MNCAMt', -1.0), ('1MNCAMti', -1.0), ('21HPRGNLONEt1', -1.0), ('21HPRGNLONEt2', -1.0), ('24_25DHVITD2t', -1.0), ('24_25DHVITD3t', -1.0), ('24NPHte', -1.0), ('25HVITD2t', -1.0), ('25HVITD3t', -1.0), ('2H3MVte', -1.0), ('2HBt2', 1), ('2HCO3_NAt', 0), ('2HIVte', -1.0), ('2HYDOGOAT3t', 0), ('2HYDOGte', -1.0), ('2HYOXPLCte', 1), ('2M3HBUte', -1.0), ('2M3HVACte', -1.0), ('2MCITt', -1.0), ('2OBUTt', 0), ('2OXOADPt', -1.0), ('2PGtr', -1.0), ('34DHOXMANDte', 0), ('34DHOXPEGt', -1.0), ('34DHPEt', -1.0), ('34DHPHAte', 0), ('34DHPHELAT1tc', 1), ('34DHPHEt', 0), ('34HPLte', -1.0), ('34HPPte', 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-1.0), ('4MTOLBUTAMIDEte', -1.0), ('4NPHSFte', -1.0), ('4NPHte', -1.0), ('4OHBUTtce', -1.0), ('4OHPROIMINOtc', 0), ('4PYRDX', -1.0), ('4TMEABUTNt1', -1.0), ('4TMEABUTNt2', -1.0), ('56DTHMt', -1.0), ('56DTHMtd', -1.0), ('56DURAt', -1.0), ('56DURAtd', -1.0), ('5A2OPNTNte', -1.0), ('5ADTSTSTERONEGLCte', 1), ('5ADTSTSTERONESte', -1.0), ('5ADTSTSTERONEte', -1.0), ('5AOPt', -1.0), ('5AOPt2', -1.0), ('5CYSDOPAt', -1.0), ('5EIPENCte', -1.0), ('5FTHFt2', 0), ('5G2OXPTte', -1.0), ('5HOMEPRAZOLEte', -1.0), ('5HOXINDOAtr', 0), ('5HPETATP', -1.0), ('5HPETtd', -1.0), ('5HTRPVESSEC', 0), ('5MTAte', -1.0), ('5MTHFt', 0), ('5MTHFt2', 0), ('5MTHFt2le', -1.0), ('5OHHEXAte', -1.0), ('5OXPROt', -1.0), ('6HOXMELATNte', -1.0), ('6HTSTSTERONEte', -1.0), ('7DHCDCHOLabc', 0), ('7DHCDCHOLt', 0), ('7DHCDCHOLt2', 0), ('7DHCHOLabc', 0), ('7DHCHOLt', 0), ('7DHCHOLt2', 0), ('7DHCHSTEROLt', -1.0), ('7DHCHSTEROLtd', -1.0), ('7KILTCHOLATP', 0), ('7KILTCHOLt', 0), ('7OHOCTAte', -1.0), ('AACTte', -1.0), ('ABT_Dt', -1.0), ('ABT_Dt2', -1.0), ('ABTti', -1.0), ('ABUTt2r', 0), ('ABUTt4_2_r', 0), ('ACACt2', 1), ('ACALDt', -1.0), ('ACCOAgt', 0), ('ACETONEt2', 1), ('ACGALFUCGALACGALFUC12GAL14ACGLCGALGLUSIDEte', -1.0), ('ACGALFUCGALACGALFUCGALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('ACGALtr', -1.0), ('ACGLUtd', -1.0), ('ACGLYte', -1.0), ('ACHOMte', -1.0), ('ACHVESSEC', 0), ('ACILEte', -1.0), ('ACLEUte', -1.0), ('ACLYSt', -1.0), ('ACLYStm', -1.0), ('ACN13ACNGALGBSIDEte', -1.0), ('ACN23ACNGALGBSIDEte', -1.0), ('ACNACNGAL14ACGLCGALGLUSIDEte', -1.0), ('ACNACNGALGBSIDEte', -1.0), ('ACNAMt2', -1.0), ('ACNAMtr', -1.0), ('ACNGALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('ACORNt', -1.0), ('ACRNte', 0), ('ACRNtr', -1.0), ('ACt2r', -1.0), ('ACTHRte', -1.0), ('ACTYRte', -1.0), ('ADEt', 0), ('ADNCNT3tc', 0), ('ADNt', 0), ('ADNt4', 0), ('ADNt5le', 0), ('ADPACtd', -1.0), ('ADPOHt', -1.0), ('ADPRIBt', 0), ('ADRNLPVESSEC', 0), ('ADRNLtu', -1.0), ('ADRNt', -1.0), ('AFLATOXINte', -1.0), ('AGRMte', 0), ('AHANDROSTANGLCte', 1), ('AHANDROSTANte', 1), ('AHCYSte', -1.0), ('AICARte', -1.0), ('AK2LGCHOLABCt', 1), ('AK2LGCHOLt1', -1.0), ('AKGt4_3', 0), ('ALAALACNc', 1), ('ALAALAPEPT1tc', 0), ('ALAARGCYSt', 0), ('ALAARGGLYt', 0), ('ALAASNLEUt', 0), ('ALAASNNaEx', 0), ('ALAATB0tc', 0), ('ALAB0AT3tc', 0), ('ALACYSNaEx', 0), ('ALADGLNexR', 0), ('ALADGLYexR', 0), ('ALA-DTDe', -1.0), ('ALAGLNexR', 0), ('ALAGLNNaEx', 0), ('ALAGLYexR', 0), ('ALAGLYLYSt', 0), ('ALAHISALAt', 0), ('ALALYSTHRt', 0), ('ALAPAT4te', 0), ('ALASERNaEx', 0), ('ALAt2r', 0), ('ALAt4', 1), ('ALATHRNaEx', 0), ('ALAtN1', 0), ('ALAyLATthc', 0), ('ALDSTRNte', -1.0), ('ALLTNt', -1.0), ('AMETAMte', -1.0), ('AMETt', -1.0), ('AND19ONEt', -1.0), ('ANDRSTANDRte', 1), ('ANDRSTNDNte', 1), ('ANDRSTRNGLCte', 1), ('ANDRSTRNte', -1.0), ('ANTHte', -1.0), ('ANTIPYRENEte', -1.0), ('APNNOXte', -1.0), ('APPNNte', -1.0), ('APRGSTRNABCt', -1.0), ('APRGSTRNt1e', 0), ('AQCOBALt', -1.0), ('ARAB_Lt', -1.0), ('ARACHDFATPtc', 0), ('ARACHDt2', 0), ('ARACHFATPc', -1.0), ('ARACHt', -1.0), ('ARG_Dte', -1.0), ('ARGALAALAt', 0), ('ARGALAPHEt', 0), ('ARGALATHRt', 0), ('ARGARGLYSt', 0), ('ARGARGMETt', 0), ('ARGARGt', 0), ('ARGATB0tc', 0), ('ARGB0AT3tc', 0), ('ARGCYSGLYt', 0), ('ARGCYSSERt', 0), ('ARGGLUGLUt', 0), ('ARGGLUPROt', 0), ('ARGGLYGLYt', 0), ('ARGHISTHRt', 0), ('ARGLEUPHEt', 0), ('ARGLYSASPt', 0), ('ARGLYSex', 0), ('ARGN1ASPMDte', 0), ('ARGPHEARGt', 0), ('ARGPROMETt', 0), ('ARGPROTHRt', 0), ('ARGSERSERt', 0), ('ARGSUCte', -1.0), ('ARGt4', 0), ('ARGtD', 0), ('ARGTYRVALt', 0), ('ARGVALCYSt', 0), ('ARGVALTRPt', 0), ('ASCBSVCTtc', 1), ('ASCBt', -1.0), ('ASCBt4', 1), ('ASNALANaEx', 0), ('ASNASNARGt', 0), ('ASNATB0tc', 0), ('ASNB0AT3tc', 0), ('ASNCYSCYSt', 0), ('ASNCYSNaEx', 0), ('ASNGLNNaEx', 0), ('ASNMETPROt', 0), ('ASNPHEASPt', 0), ('ASNPHECYSt', 0), ('ASNSERNaEx', 0), ('ASNt4', 1), ('ASNTHRNaEx', 0), ('ASNtN1', 0), ('ASNTYRGLYt', 0), ('ASNTYRPHEt', 0), ('ASNTYRTHRt', 0), ('ASPALAARGt', 0), ('ASPASNGLUt', 0), ('ASPDt6', 0), ('ASPDTDe', -1.0), ('ASPGLUPROt', 0), ('ASPGLUt', 0), ('ASPGLUTRPt', 0), ('ASPHISCYSt', 0), ('ASPHISPROt', 0), ('ASPLYSGLUt', 0), ('ASPLYSHISt', 0), ('ASPMETASPt', 0), ('ASPPROASCT1', 0), ('ASPPROLYSt', 0), ('ASPt6', 0), ('ASPte', -1.0), ('ASPVALASNt', 0), ('AVITE1t', 0), ('AVITE2t', -1.0), ('BALABETAtc', 1), ('BALABETAtc2', -1.0), ('BALAPAT1tc', 0), ('BALAPAT1tc2', -1.0), ('BALAVECSEC', 0), ('BETBGTtc', 0), ('BGLYte', -1.0), ('BHBt', -1.0), ('BILDGLCURt', 0), ('BILDGLCURte', 1), ('BILGLCURt', 0), ('BILGLCURte', 1), ('BILIRUBt2', 0), ('BILIVERDt', -1.0), ('BTNt2', 1), ('BTNt3i', 1), ('BTNt3ile', 1), ('BTNt4i', 0), ('BTNTe', -1.0), ('BUTSMCT1', 0), ('BUTt2r', 1), ('BVITEt', -1.0), ('BZt', -1.0), ('C02356t', -1.0), ('C02712te', 0), ('C03681te', 1), ('C03990ATP', 0), ('C03990t', 0), ('C04483t1', 0), ('C04483t2', -1.0), ('C04717ATP', -1.0), ('C04717td', -1.0), ('C04805ATP', -1.0), ('C04805td', -1.0), ('C05298te', -1.0), ('C05299te', 1), ('C05300t', -1.0), ('C05301te', 1), ('C05302te', 1), ('C05463t1', 0), ('C05463t2', -1.0), ('C05767te', -1.0), ('C05769te', 0), ('C05769te2', -1.0), ('C05769te3', 0), ('C05770te', 0), ('C05770te3', -1.0), ('C05770te4', 0), ('C05953t', -1.0), ('C05957t', -1.0), ('C05957td', -1.0), ('C06314t', -1.0), ('C06315t', -1.0), ('C06439t', -1.0), ('C09642te', 0), ('C10164te', -1.0), ('C11695td', -1.0), ('C13856te', -1.0), ('C14768ATP', -1.0), ('C14768td', -1.0), ('C14769td1', -1.0), ('C14769td2', -1.0), ('C14770ATP', -1.0), ('C14770UPKt', -1.0), ('C14771ATP', -1.0), ('C14771UPKt', -1.0), ('C14825ATP', -1.0), ('C14825td', -1.0), ('C14826ATP', -1.0), ('C14826td', -1.0), ('CA24Gte', 0), ('CA24Gtr', -1.0), ('CA2t', -1.0), ('CA3Sabc', 0), ('CA3St', 0), ('CAATPS', 1), ('CALAtr', -1.0), ('CAMPt', 0), ('CARNtr', -1.0), ('CAROtr', -1.0), ('CARPEPT1tc', 0), ('CARVEOLte', -1.0), ('CAt7r', 0), ('CBASPte', -1.0), ('CDCA24Gte', 0), ('CDCA24Gtr', -1.0), ('CDCA3Gte', 0), ('CDCA3Gtr', -1.0), ('CE0328t', -1.0), ('CE0737te', -1.0), ('CE0955te', -1.0), ('CE0955tr', -1.0), ('CE1243ATP', -1.0), ('CE1243UPKt', -1.0), ('CE1261t', -1.0), ('CE1273t1', 0), ('CE1273t2', -1.0), ('CE1297t', -1.0), ('CE1297td', -1.0), ('CE1352te', 1), ('CE1401te', -1.0), ('CE1447te', 1), ('CE1556td', -1.0), ('CE1617te', -1.0), ('CE1918te', 0), ('CE2006te', 1), ('CE2026te', 0), ('CE2028t', -1.0), ('CE2047te', -1.0), ('CE2049te', -1.0), ('CE2172t', -1.0), ('CE2176t', -1.0), ('CE2209te', 1), ('CE2211te', 1), ('CE2445t', -1.0), ('CE2510ABCt', 0), ('CE2510t', -1.0), ('CE2512te', -1.0), ('CE2513ATP', -1.0), ('CE2513td', -1.0), ('CE2537ABCt', 0), ('CE2537ATP', -1.0), ('CE2705t', 0), ('CE2934t', -1.0), ('CE4843t', -1.0), ('CE4843td', -1.0), ('CE4877te', 1), ('CE4890te', 0), ('CE4890te2', 0), ('CE4968te', 0), ('CE4970te', 0), ('CE5025t', 1), ('CE5026t', 1), ('CE5072te', 1), ('CE5304t', -1.0), ('CE5629t', -1.0), ('CE5643te', -1.0), ('CE6031t', -1.0), ('CE6205te', 0), ('CE6247t', -1.0), ('CE7081tm', -1.0), ('CE7082ATP', -1.0), ('CE7082UPKt', -1.0), ('CE7083t', -1.0), ('CE7085te', 1), ('CE7090te', 1), ('CE7096te', 1), ('CE7172ATP', -1.0), ('CE7172UPKt', -1.0), ('CGLYt3_2_', 0), ('CGMPt', 0), ('CHOLATEt', 0), ('CHOLATEt2', 0), ('CHOLATEt3', 0), ('CHOLESTle', 1), ('CHOLPtr', -1.0), ('CHOLt4', 0), ('CHOLtu', 0), ('CHSTEROLSte', -1.0), ('CHSTEROLt', 0), ('CITt4_2', 0), ('CITt4_4', 0), ('CLCFTRte', 0), ('CLFORtex', 0), ('CLHCO3tex2', 0), ('CLI2tex', 0), ('CLOHtex2', 0), ('CLOXAtex2', 0), ('CLPNDt', -1.0), ('CO2t', -1.0), ('COKEte', -1.0), ('COPROSTabc', 0), ('COPROSTt', 0), ('COPROSTt2', 0), ('Coqe', -1.0), ('CORE4t', -1.0), ('CORE5t', -1.0), ('CORE7t', -1.0), ('CORE8t', -1.0), ('CORTSNt', -1.0), ('COt', -1.0), ('COUMARINte', -1.0), ('CREATt4_2_r', 0), ('CRMPte', -1.0), ('CRNATBtc', 0), ('CRNt', 0), ('CRNtHa', 0), ('CRNtuNa', 0), ('CRTNtr', -1.0), ('CRTSLt', -1.0), ('CRTSTRNt', -1.0), ('CRVNCtr', -1.0), ('CSNt', 0), ('CSPG_At', -1.0), ('CSPG_Bt', -1.0), ('CSPG_Ct', -1.0), ('CSPG_Dt', -1.0), ('CSPG_Et', -1.0), ('CYANt', -1.0), ('CYSALANaEx', 0), ('CYSAMOe', -1.0), ('CYSASNMETt', 0), ('CYSASNNaEx', 0), ('CYSASPPHEt', 0), ('CYSATB0tc', 0), ('CYSB0AT3tc', 0), ('CYSCYSt', 0), ('CYSGLNMETt', 0), ('CYSGLNNaEx', 0), ('CYSGLUexR', 1), ('CYSGLUHISt', 0), ('CYSGLUTRPt', 0), ('CYSGLYexR', 0), ('CYSLEUTHRt', 0), ('CYSSERMETt', 0), ('CYSSERNaEx', 0), ('CYSSNAT5tc', 0), ('CYST_Ltr', -1.0), ('CYSt4', 1), ('CYSTALArBATtc', 0), ('CYStec', 0), ('CYSTGLUex', 0), ('CYSTHRNaEx', 0), ('CYSTLEUrBATtc', 0), ('CYSTSERex', 0), ('CYSTYRASNt', 0), ('CYTDt', 0), ('CYTDt2r', 0), ('CYTDt4', 0), ('CYTDt5le', 0), ('D_3AIBt', -1.0), ('D_LACt2', 1), ('DADNt4', 0), ('DAGt', -1.0), ('DALAt2r', 0), ('DCA24Gte', 0), ('DCA24Gtr', -1.0), ('DCA3Gte', 0), ('DCA3Gtr', -1.0), ('DCA3Sabc', 0), ('DCA3St', 0), ('DCMPtr', -1.0), ('DCSPTN1t', -1.0), ('DCYTt', 0), ('DDCAFATP', -1.0), ('DDCAte', 0), ('DEBRISOQUINEt', 0), ('DGCHOLte', -1.0), ('DGSNt', 0), ('DHAAt1r', 1), ('DHAPtr', -1.0), ('DHBPTt', -1.0), ('DHCHOLESTANATEATP', 0), ('DHCHOLESTANATEt', 0), ('DHEASABCCte', 0), ('DHEASt', 0), ('DHEAStr', -1.0), ('DHEAte', -1.0), ('DIGALSGALSIDEATPte', 1), ('DIGALSGALSIDESECt', -1.0), ('DINt', 0), ('DLNLCGt', 0), ('DMANTIPYRINEte', -1.0), ('DMGLYtr', -1.0), ('DMHPTCRNte', -1.0), ('DODECANACt', -1.0), ('DODECANACtd', -1.0), ('DOPA3GLCURt', 1), ('DOPA4GLCURt', 1), ('DOPA4SFt', -1.0), ('DOPAENT4tc', 0), ('DOPASFt', -1.0), ('DOPAt4_2_r', 0), ('DOPAtu', 0), ('DOPAVESSEC', 0), ('DRIBt', -1.0), ('DSMSTEROLte', -1.0), ('DST_ANTIGENt', -1.0), ('DURIt', 0), ('DXTRNt', -1.0), ('EAFLATOXINte', -1.0), ('EANDRSTRNte', 1), ('EBASTINEOHte', -1.0), ('EBASTINEte', -1.0), ('EGMEte', -1.0), ('EIC21114TRte', -1.0), ('EICOSTETt', -1.0), ('ELAIDCRNtd', -1.0), ('ELAIDCRNte', -1.0), ('ELAIDt', 0), ('ESTRAABCtc', 0), ('ESTRADIOLGLCt', 0), ('ESTRADIOLGLCt2', 0), ('ESTRADIOLt', -1.0), ('ESTRIOLATP', -1.0), ('ESTRIOLGLCte', 1), ('ESTRONEGLCt', 0), ('ESTRONESt', 1), ('ESTRONESt2', 0), ('ESTRONEte', -1.0), ('ESTROSABCCte', 0), ('ESTRSABCtc', 0), ('ETHAMPtr', -1.0), ('ETHAt', -1.0), ('ETHMALACte', -1.0), ('ETOHt', -1.0), ('EX_lthstrl[e]', -1.0), ('F1Ate', -1.0), ('F1Ate2', -1.0), ('FATP1t', 0), ('FATP2t', 0), ('FATP3t', 0), ('FATP4t', 0), ('FATP5t', 0), ('FATP6t', 0), ('FATP7t', 0), ('FATP8t', 0), ('FATP9t', 0), ('FDPte', -1.0), ('FE2DMT1', 0), ('FE2t', -1.0), ('FE3MTP1', 0), ('FMNALKPle', 1), ('FNA5MOXAMte', -1.0), ('FOLABCCte', 1), ('FOLOAT1tc', 0), ('FOLOAT2tc', 0), ('FOLOATPtc', 0), ('FOLt2', 0), ('FOLt2le', -1.0), ('FOLTle', 0), ('FORGLUt', -1.0), ('FRUt1r', 0), ('FRUt4', 0), ('FUC13GALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('FUC14GALACGLCGALGLUSIDEte', -1.0), ('FUCACGALFUCGALACGLCGALGLUSIDEte', -1.0), ('FUCACNGAL14ACGLCGALGLUSIDEte', -1.0), ('FUCACNGALACGLCGALGLUSIDEte', -1.0), ('FUCFUC12GAL14ACGLCGALGLUSIDEte', -1.0), ('FUCFUC132GALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('FUCFUCFUCGALACGLC13GALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('FUCFUCFUCGALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('FUCFUCGALACGLCGALGLUSIDEte', -1.0), ('FUCGAL14ACGLCGALGLUSIDEte', -1.0), ('FUCGALFUCGALACGLCGALGLUSIDEte', -1.0), ('FUCGALGBSIDEte', -1.0), ('FUMtr', -1.0), ('G3PCtr', -1.0), ('GA1tl', -1.0), ('GABABGTtc', 0), ('GABAVESSEC', 0), ('GALACGLCGALGBSIDEte', -1.0), ('GALAMtr', -1.0), ('GALFUC12GAL14ACGLCGALGLUSIDEte', -1.0), ('GALFUCGALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('GALGALFUCFUCGALACGLCGALACGLCGAL14ACGLCGALGLUSIDEte', -1.0), ('GALGALGALTHCRMte', -1.0), ('GALGLUSIDEtg2', -1.0), ('GALGLUSIDEtl2', -1.0), ('GALSGLT1le', 0), ('GALt1r', 1), ('GALt2_2', 0), ('GALt4', 0), ('GALTt', -1.0), ('GAMt1r', 1), ('GBSIDEte', -1.0), ('GCA3Sabc', 0), ('GCA3St', 0), ('GCDCA3Sabc', 0), ('GCDCA3St', 0), ('GCHOLAt', 0), ('GCHOLAt2', 0), ('GCHOLAt3', 0), ('GCHOLAte', -1.0), ('GD1B2te', -1.0), ('GD1Cte', -1.0), ('GD3tg', -1.0), ('GD3tl', -1.0), ('GDCA3Sabc', 0), ('GDCA3St', 0), ('GLCMter', -1.0), ('GLCNte', -1.0), ('GLCRt1', 0), ('GLCSGLT1le', 0), ('GLCt1r', 1), ('GLCt2_2', 0), ('GLCt4', 1), ('GLCURtr', -1.0), ('GLNALANaEx', 0), ('GLNASNGLNt', 0), ('GLNASNNaEx', 0), ('GLNATB0tc', 0), ('GLNB0AT3tc', 0), ('GLNCYSNaEx', 0), ('GLNHISHISt', 0), ('GLNHISLYSt', 0), ('GLNLYSLYSt', 0), ('GLNLYSTRPt', 0), ('GLNPROGLUt', 0), ('GLNSERNaEx', 0), ('GLNt4', 1), ('GLNTHRNaEx', 0), ('GLNtN1', 0), ('GLNTRPGLUt', 0), ('GLNTYRLEUt', 0), ('GLNyLATthc', 0), ('GLUARGLEUt', 0), ('GLUASNLEUt', 0), ('GLUB0AT3tc', 0), ('GLUCYSte', -1.0), ('GLUGLUt', 0), ('GLUILELYSt', 0), ('GLULEUt', 0), ('GLUMETHISt', 0), ('GLUMETt', 0), ('GLUPROASCT1', 0), ('GLUSIDEte', -1.0), ('GLUSIDEtg', -1.0), ('GLUSIDEtl', -1.0), ('GLUt6', 0), ('GLUTAROAT3t', 0), ('GLUTARte', -1.0), ('GLUTCONte', -1.0), ('GLUTHRLYSt', 0), ('GLUTHRt', 0), ('GLUTRPALAt', 0), ('GLUVESSEC', 0), ('GLXte', -1.0), ('GLYALDtr', -1.0), ('GLYB0AT3tc', 0), ('GLYBt4_2_r', 0), ('GLYC_Rt', -1.0), ('GLYC_St', -1.0), ('GLYC2P3Pc', -1.0), ('GLYC2Pte', -1.0), ('GLYC3tr', -1.0), ('GLYCLTtd', -1.0), ('GLYCTDle', -1.0), ('GLYGLYCNc', 1), ('GLYGLYPEPT1tc', 0), ('GLYHISASNt', 0), ('GLYHISLYSt', 0), ('GLYLEUHYDROc', 1), ('GLYLEUPEPT1tc', 0), ('GLYLYSCYSt', 0), ('GLYLYSPHEt', 0), ('GLYPHEPEPT1tc', 0), ('GLYPROPEPT1tc', 0), ('GLYPROPRO1c', 0), ('GLYPROt', -1.0), ('GLYSARCNc', 1), ('GLYSARPEPT1tc', 0), ('GLYSNAT5tc', 0), ('GLYt2r', 0), ('GLYt4', 1), ('GLYt7_211_r', 0), ('GLYt7_311_r', 0), ('GLYTYRLYSt', 0), ('GLYVALHISt', 0), ('GLYVESSEC', 0), ('GM1tg', -1.0), ('GM1tl', -1.0), ('GM2tg', -1.0), ('GM2tl', -1.0), ('GNCORE1te', -1.0), ('GNCORE2te', -1.0), ('GP1CALPHAte', -1.0), ('GP1Cte', -1.0), ('GQ1BALPHAte', -1.0), ('GQ1Bte', -1.0), ('GSNt', 0), ('GSNt2r', 0), ('GSNt4', 0), ('GSNt5le', 0), ('GT1Ate', -1.0), ('GTHOXti2', -1.0), ('GUAt', 0), ('GUDACtr', -1.0), ('GUDACtr2', -1.0), ('GUDCA3Sabc', 0), ('GUDCA3St', 0), ('H2O2t', -1.0), ('H2OGLYAQPt', 0), ('H2Ot', 0), ('HC00319t1', -1.0), ('HC00319t2', -1.0), ('HC00342te', -1.0), ('HC00460te', -1.0), ('HC00900t1', -1.0), ('HC00900t2', -1.0), ('HC00900t3', -1.0), ('HC00900t4', -1.0), ('HC02020te', -1.0), ('HC02149td', -1.0), ('HC02194te', 0), ('HC02220c', 0), ('HC02220t', 0), ('HC02220te', 0), ('HCA24Gte', 0), ('HCA24Gtr', -1.0), ('HCA6Gte', 0), ('HCA6Gtr', -1.0), ('HCO3_CLt', 0), ('HCO3_NAt', 1), ('HCOUMARINte', -1.0), ('HCYSte', -1.0), ('HDCA24Gte', 0), ('HDCA24Gtr', -1.0), ('HDCA6Gte', 0), ('HDCA6Gtr', -1.0), ('HDCAtr', 0), ('HDCEAtr', 0), ('HDCECRNte', 0), ('HDCECRNtr', -1.0), ('HDD2CRNte', -1.0), ('HDD2CRNte2', 0), ('HESTRATRIOLte', -1.0), ('HEXCt', -1.0), ('HEXDIACATP', -1.0), ('HEXDIACtd', -1.0), ('HEXDTRte', -1.0), ('HEXGLYte', -1.0), ('HGENTISt', -1.0), ('HISARGCYSt', 0), ('HISARGSERt', 0), ('HISASPt', 0), ('HISCYSCYSt', 0), ('HISGLNALAt', 0), ('HISGLUGLNt', 0), ('HISGLUt', 0), ('HISGLYLYSt', 0), ('HISHISLYSt', 0), ('HISLYSALAt', 0), ('HISLYSGLUt', 0), ('HISLYSILEt', 0), ('HISLYSTHRt', 0), ('HISLYSVALt', 0), ('HISMETGLNt', 0), ('HISMETt', 0), ('HISPHEARGt', 0), ('HISPROLYSt', 0), ('HISSNAT5tc', 0), ('HISt4', 1), ('HISTAtu', 0), ('HISTAVESSEC', 0), ('HIStiDF', 0), ('HIStN1', 0), ('HISTRPHISt', 0), ('HISyLATtc', 0), ('HISyLATthc', 0), ('HKt', 0), ('HKYNRtr', 1), ('HMCARNt', -1.0), ('HMCRNt', -1.0), ('HMR_0008', 0), ('HMR_0015', -1.0), ('HMR_0016', -1.0), ('HMR_0017', -1.0), ('HMR_0019', 0), ('HMR_0155', 0), ('HMR_0164', 0), ('HMR_0167', 0), ('HMR_0170', 0), ('HMR_0176', 0), ('HMR_0183', 0), ('HMR_0191', 0), ('HMR_0194', 0), ('HMR_0203', 0), ('HMR_0207', 0), ('HMR_0208', 0), ('HMR_0211', 0), ('HMR_0215', 0), ('HMR_0232', 0), ('HMR_0235', 0), ('HMR_0239', 0), ('HMR_0240', 0), ('HMR_0243', 0), ('HMR_0244', 0), ('HMR_0247', 0), ('HMR_0253', 0), ('HMR_0254', 0), ('HMR_0257', 0), ('HMR_0261', 0), ('HMR_0270', 0), ('HMR_0273', 0), ('HMR_0277', 0), ('HMR_0278', 0), ('HMR_0281', 0), ('HMR_0287', 0), ('HMR_0288', 0), ('HMR_0291', 0), ('HMR_0292', 0), ('HMR_0296', 0), ('HMR_0299', 0), ('HMR_0300', 0), ('HMR_0303', 0), ('HMR_0304', 0), ('HMR_0307', 0), ('HMR_0308', 0), ('HMR_0311', 0), ('HMR_0317', 0), ('HMR_0321', 0), ('HMR_0322', 0), ('HMR_0325', 0), ('HMR_0326', 0), ('HMR_0329', 0), ('HMR_0343', 0), ('HMR_0344', 0), ('HMR_0347', 0), ('HMR_0359', 0), ('HMR_0363', 0), ('HMR_0367', 0), ('HMR_0371', 0), ('HMR_0375', 0), ('HMR_0380', 0), ('HMR_0383', 0), ('HMR_0384', 0), ('HMR_0387', 0), ('HMR_0388', 0), ('HMR_0391', 0), ('HMR_0392', 0), ('HMR_0395', 0), ('HMR_0415', 0), ('HMR_0419', 0), ('HMR_0423', 0), ('HMR_0427', 0), ('HMR_0428', 0), ('HMR_0431', 0), ('HMR_0432', 0), ('HMR_0435', 0), ('HMR_0436', 0), ('HMR_0439', 0), ('HMR_0469', -1.0), ('HMR_0770', 1), ('HMR_1897', 1), ('HMR_3951', -1.0), ('HMR_4938', 0), ('HMR_5996', 0), ('HMR_6359', 0), ('HMR_6362', 0), ('HMR_6363', 0), ('HMR_6364', 0), ('HMR_6365', 0), ('HMR_6533', 0), ('HMR_6534', 0), ('HMR_6989', 0), ('HMR_7173', -1.0), ('HMR_7184', -1.0), ('HMR_7700', 0), ('HMR_7898', -1.0), ('HMR_7900', -1.0), ('HMR_7903', -1.0), ('HMR_7906', -1.0), ('HMR_7977', -1.0), ('HMR_8023', -1.0), ('HMR_8056', -1.0), ('HMR_8090', -1.0), ('HMR_8374', -1.0), ('HMR_8567', -1.0), ('HMR_8670', 0), ('HMR_8877', 0), ('HMR_8884', 0), ('HMR_9175', -1.0), ('HMR_9176', -1.0), ('HMR_9178', -1.0), ('HMR_9180', -1.0), ('HMR_9184', -1.0), ('HMR_9185', -1.0), ('HMR_9187', -1.0), ('HMR_9188', -1.0), ('HMR_9189', -1.0), ('HMR_9191', 1), ('HMR_9581', 0), ('HMR_9582', 0), ('HMR_9583', 0), ('HMR_9584', 0), ('HMR_9590', 0), ('HMR_9593', 0), ('HMR_9602', 0), ('HMR_9603', 0), ('HMR_9604', 0), ('HMR_9605', 0), ('HMR_9607', 1), ('HMR_9608', 1), ('HMR_9609', 1), ('HMR_9610', 0), ('HMR_9612', -1.0), ('HMR_9613', 0), ('HMR_9614', 0), ('HMR_9615', 0), ('HMR_9617', 0), ('HMR_9619', 0), ('HMR_9620', 0), ('HMR_9621', 0), ('HMR_9622', 0), ('HMR_9623', 0), ('HMR_9624', 0), ('HMR_9635', -1.0), ('HMR_9638', -1.0), ('HMR_9639', -1.0), ('HMR_9640', -1.0), ('HMR_9642', -1.0), ('HMR_9644', -1.0), ('HMR_9647', -1.0), ('HMR_9648', -1.0), ('HMR_9652', -1.0), ('HMR_9656', -1.0), ('HMR_9657', -1.0), ('HMR_9658', -1.0), ('HMR_9660', -1.0), ('HMR_9661', -1.0), ('HMR_9662', -1.0), ('HMR_9663', -1.0), ('HMR_9720', -1.0), ('HOMOVALte', 0), ('HOMt4', 0), ('HPACtr', -1.0), ('HPDCAt', -1.0), ('HPDECEte', -1.0), ('HPPPNte', -1.0), ('HSPGt', -1.0), ('HTAXOLte', -1.0), ('HXAt3', -1.0), ('HXCOAte', -1.0), ('HYOCHOLabc', 0), ('HYOCHOLt', 0), ('HYOCHOLt2', 0), ('HYOCHOLtr', -1.0), ('HYXNt', 0), ('ICDCHOLabc', 0), ('ICDCHOLt', 0), ('ICDCHOLt2', 0), ('ICITtr', -1.0), ('IDOURte', -1.0), ('ILEARGILEt', 0), ('ILEASNHISt', 0), ('ILEASPt', 0), ('ILEATB0tc', 0), ('ILEB0AT3tc', 0), ('ILEGLNGLUt', 0), ('ILEGLYARGt', 0), ('ILEPROLYSt', 0), ('ILESERARGt', 0), ('ILEt4', 0), ('ILEtec', 0), ('ILETRPTYRt', 0), ('IM4ACte', -1.0), ('IMPtr', -1.0), ('IND3ACt', -1.0), ('INSt', 0), ('INSt2', 0), ('INSt4', 0), ('INSt5le', 0), ('INSTt2r', 0), ('INSTt4', 1), ('INSTt4_2', 0), ('ISOBUTte', -1.0), ('ISOCHOLabc', 0), ('ISOCHOLt', 0), ('ISOCHOLt2', 0), ('It', 0), ('KCC2t', 1), ('KCCt', 1), ('KHte', -1.0), ('KSII_CORE2t', -1.0), ('KSII_CORE4t', -1.0), ('KYNATEtr', 0), ('KYNATEtr2', -1.0), ('L_LACt2r', 1), ('L_LACt4r', 0), ('L2AADPtr', -1.0), ('LANOSTte', -1.0), ('LCA24Gte', 0), ('LCA24Gtr', -1.0), ('LCA3Gte', 0), ('LCA3Gtr', -1.0), ('LCA3Sabc', 0), ('LCA3St', 0), ('LCTStg', -1.0), ('LCYSTt', -1.0), ('LEUALAARGt', 0), ('LEUASNASPt', 0), ('LEUASPLYSt', 0), ('LEUATB0tc', 0), ('LEUB0AT3tc', 0), ('LEUGLYHYc', -1.0), ('LEUGLYPEPT1tc', 0), ('LEUKABCtc', 0), ('LEUKTRA4t', 0), ('LEUKTRB4t', 0), ('LEUKTRB4WCOOHt', -1.0), ('LEUKTRB4WOHt', -1.0), ('LEUKTRB4WOHtr', -1.0), ('LEUKTRC4t', 0), ('LEUKTRD4t', -1.0), ('LEUKTRE4t', 0), ('LEUKTRF4t', 0), ('LEULEULAPc', 1), ('LEULEUPEPT1tc', 0), ('LEULEUt', -1.0), ('LEULEUTRPt', 0), ('LEUPROARGt', 0), ('LEUPROt', 0), ('LEUSERTRPt', 0), ('LEUt4', 1), ('LEUtec', 0), ('LEUTRPARGt', 0), ('LEUTRPt', 0), ('LEUTYRTYRt', 0), ('LEUVALt', 0), ('LEUyLAThtc', 0), ('LGNCFATPtc', 0), ('LGNCt', 0), ('LHCYSTINt', -1.0), ('LIMNENte', -1.0), ('LINOFATPtc', 0), ('LIPOti', 1), ('LKYNRtr', 0), ('LKYNRtr2', 0), ('LKYNRtr3', 0), ('LNELDCCRNte', 0), ('LNELDCCRNtr', -1.0), ('LNELDCt', -1.0), ('LNLCCRNNAt', -1.0), ('LNLCCRNtd', -1.0), ('LNLCt', 0), ('LNLNCAt', 0), ('LNLNCGt', 0), ('LPAMt', -1.0), ('LPCHOLt', -1.0), ('LPIPECOLt', -1.0), ('LTHSTRLABCt', -1.0), ('LTHSTRLt', -1.0), ('LYSARGLEUt', 0), ('LYSATB0tc', 0), ('LYSCYSHISt', 0), ('LYSGLNPHEt', 0), ('LYSGLUGLUt', 0), ('LYSLYSLYSt', 0), ('LYSPHEILEt', 0), ('LYSt4', 0), ('LYStiDF', 0), ('LYSTRPARGt', 0), ('LYSTYRILEt', 0), ('LYSVALPHEt', 0), ('LYSVALTRPt', 0), ('M02155tr', -1.0), ('MAGt', -1.0), ('MAL_Lte', -1.0), ('MALTt1r', 1), ('MALTTTRt', -1.0), ('MANt1r', 1), ('MANt4', 0), ('MELATNte', -1.0), ('MEOHt2', -1.0), ('MEPIt', -1.0), ('MEPIVESSte', -1.0), ('MERCPLACCYSt', -1.0), ('METARGLEUt', 0), ('METASNTYRt', 0), ('METATB0tc', 0), ('METB0AT3tc', 0), ('METGLNTYRt', 0), ('METGLYARGt', 0), ('METHISLYSt', 0), ('METHSUCCte', -1.0), ('METLEUex', 1), ('METMETILEt', 0), ('METPHEARGt', 0), ('METt4', 1), ('METtec', 0), ('METTRPPHEt', 0), ('METyLATthc', 0), ('MEV_Rt', -1.0), ('MHISTAte', 0), ('MK10t', -1.0), ('MK11t', -1.0), ('MK7t', -1.0), ('MK8t', -1.0), ('MK9t', -1.0), ('MLTHFte', 0), ('MLTHFte1', 1), ('MLTHFte2', 0), ('MLTHFte3', 0), ('MMAt2e', 0), ('MMAte', 0), ('MTHGXLt', -1.0), ('MVLACte', -1.0), ('N8ASPMDte', 0), ('NACASPt', -1.0), ('NACCYSte', -1.0), ('NACHORCTL3le', 0), ('NACSMCTte', 0), ('NACUP', -1.0), ('NACVANALAte', -1.0), ('NAHCO3_HCLt', 0), ('NAIt', 0), ('NaKt', 1), ('NAt', 1), ('NAt3_1', 0), ('NAt5', 0), ('NCAMUP', -1.0), ('NCCt', 0), ('NCKt', 0), ('NCNt', 0), ('NH4t3r', 0), ('NH4tb', -1.0), ('NICRNtr', -1.0), ('NIFEDIPINEte', -1.0), ('NKCC2t', 1), ('NKCCt', 1), ('NORMETEt', -1.0), ('NORMETEVESSte', -1.0), ('NOt', -1.0), ('NPTHLte', -1.0), ('NRPPHRSFt', -1.0), ('NRPPHRt4_2_r', 0), ('NRPPHRtu', 0), ('NRPPHRVESSEC', 0), ('NRVNCABCt', 0), ('NWHARGtd', -1.0), ('O2St', -1.0), ('O2t', -1.0), ('OAAt', -1.0), ('OAGD3te', -1.0), ('OAGT3te', -1.0), ('OCDCAFATPc', -1.0), ('OCDCAtr', 0), ('OCDCEAtr', 0), ('OCTAt', -1.0), ('ODECRNte', 0), ('ODECRNtr', -1.0), ('OLEICFATPtc', 0), ('OMEPRAZOLEte', -1.0), ('ONPTHLte', -1.0), ('ORN_Dte', -1.0), ('ORNALArBATtc', 0), ('ORNLEUrBATtc', 0), ('ORNtiDF', 0), ('OROT5Ptr', -1.0), ('OROte', -1.0), ('OROTGLUt', 0), ('OXAHCOtex', 0), ('pac', -1.0), ('PAFABCt', 1), ('PAFt1', -1.0), ('PAIL_hs_SECt', -1.0), ('PAILPALM_HSSECt', -1.0), ('PAILR_HSSECt', -1.0), ('PALFATPtc', 0), ('PCHLN225_HSABCt', 1), ('PCHLN225_HSt1e', -1.0), ('PCHOL2LINL_HSABCt', 1), ('PCHOL2LINL_HSt1e', -1.0), ('PCHOL2OLE_HSABCt', 1), ('PCHOL2OLE_HSt1e', -1.0), ('PCHOL2PALM_HSte', -1.0), ('PCHOL2STE_HSABCt', 1), ('PCHOL2STE_HSt1e', -1.0), ('PCHOLAR_HSABCt', 1), ('PCHOLAR_HSt1e', -1.0), ('PCHOLDOC_HSABCt', 1), ('PCHOLDOC_HSt1e', -1.0), ('PCHOLEIC_HSABCt', 1), ('PCHOLEIC_HSt1e', -1.0), ('PCHOLET_HSABCt', 1), ('PCHOLET_HSt1e', -1.0), ('PCHOLHEP_HSABCt', 1), ('PCHOLHEP_HSt1e', -1.0), ('PCHOLHSTDe', -1.0), ('PCHOLLINL_HSABCt', 1), ('PCHOLLINL_HSt1e', -1.0), ('PCHOLMYR_HsABCt', 1), ('PCHOLMYR_Hst1e', -1.0), ('PCHOLN15_HSABCt', 1), ('PCHOLN15_HSt1e', -1.0), ('PCHOLN183_HSABCt', 1), ('PCHOLN183_HSt1e', -1.0), ('PCHOLN1836_HSABCt', 1), ('PCHOLN1836_HSt1e', -1.0), ('PCHOLN19_HSABCt', 1), ('PCHOLN19_HSt1e', -1.0), ('PCHOLN201_HSABCt', 1), ('PCHOLN201_HSt1e', -1.0), ('PCHOLN203_HSABCt', 1), ('PCHOLN203_HSt1e', -1.0), ('PCHOLN204_HSABCt', 1), ('PCHOLN204_HSt1e', -1.0), ('PCHOLN205_HSABCt', 1), ('PCHOLN205_HSt1e', -1.0), ('PCHOLN224_HSABCt', 1), ('PCHOLN224_HSt1e', -1.0), ('PCHOLN225_HSABCt', 1), ('PCHOLN225_HSt1e', -1.0), ('PCHOLN2254_HSABCt', 1), ('PCHOLN2254_HSt1e', -1.0), ('PCHOLN261_HSte', -1.0), ('PCHOLN264_HSABCt', 1), ('PCHOLN264_HSt1e', -1.0), ('PCHOLN28_HSte', -1.0), ('PCHOLN281_HSte', -1.0), ('PCHOLOLE_HSABCt', 1), ('PCHOLOLE_HSt1e', -1.0), ('PCHOLPALME-HSABCt', 1), ('PCHOLPALME-HSt1e', -1.0), ('PCHOLSTE_HSABCt', 1), ('PCHOLSTE_HSt1e', -1.0), ('PCOLLG5HLYStd', -1.0), ('PCREATte', -1.0), ('PCRESOLup', -1.0), ('PCRNte', 0), ('PCSsec', -1.0), ('PCt', 0), ('PE12_HSABCt', 1), ('PE12_HSt1e', -1.0), ('Pe13_HSABCt', 1), ('Pe13_HSt1e', -1.0), ('PE14_HSABCt', 1), ('PE14_HSt1e', -1.0), ('PE15_HSABCt', 1), ('PE15_HSt1e', -1.0), ('PE161_HSABCt', 1), ('PE161_HSt1e', -1.0), ('PE17_HSABCt', 1), ('PE17_HSt1e', -1.0), ('PE203_HSABCt', 1), ('PE203_HSt1e', -1.0), ('PE224_HSte', -1.0), ('PE226_HSABCt', 1), ('PE226_HSt1e', -1.0), ('PE2LINL_HSABCt', 1), ('PE2LINL_HSt1e', -1.0), ('PEAR_HSABCt', 1), ('PEAR_HSt1e', -1.0), ('PEDH203_HSABCt', 1), ('PEDH203_HSt1e', -1.0), ('PEFLIP', 1), ('PELINL_HSABCt', 1), ('PELINL_HSt1e', -1.0), ('PELPALM_HSABCt', 1), ('PELPALM_HSt1e', -1.0), ('PEOLE_HSABCt', 1), ('PEOLE_HSt1e', -1.0), ('PEPALM_HSASBCt', 1), ('PEPALM_HSt1e', -1.0), ('PEPtr', -1.0), ('PERILLYLte', -1.0), ('PESTE_HSABCt', 1), ('PESTE_HSt1e', -1.0), ('PEt', -1.0), ('PGLYCABCte', 0), ('PGLYCt', -1.0), ('PHACGLYt', -1.0), ('PHEACGLNt', -1.0), ('PHEACGLYsec', -1.0), ('PHEASNMETt', 0), ('PHEASPt', 0), ('PHEATB0tc', 0), ('PHEB0AT3tc', 0), ('PHEGLNPHEt', 0), ('PHELEUASPt', 0), ('PHELEUHISt', 0), ('PHELEUt', 0), ('PHELYSALAt', 0), ('PHELYSPROt', 0), ('PHEMEABCte', 0), ('PHEMEe', 0), ('PHEPHEASNt', 0), ('PHEPHEt', 0), ('PHEPHETHRt', 0), ('PHEPROARGt', 0), ('PHESERTRPt', 0), ('PHEt4', 1), ('PHEtec', 0), ('PHETHRLYSt', 0), ('PHETRPLEUt', 0), ('PHETYRGLNt', 0), ('PHETYRLYSt', 0), ('PHETYRt', 0), ('PHEyLATthc', 0), ('PHLACHt', -1.0), ('PHPYRte', 1), ('PHYQt', -1.0), ('PHYTt', -1.0), ('PIt6b', -1.0), ('PIt7', 0), ('PIt8', 1), ('PIt9', 0), ('PMTCRNte', 0), ('PMTCRNtr', -1.0), ('PNTEHe', -1.0), ('PNTORDe', -1.0), ('PNTOt5', 1), ('PNTOt5le', 1), ('PPASMCT1', 0), ('PPAt', -1.0), ('PPBNGte', -1.0), ('PPIOGLYte', -1.0), ('PPP9ABCte', 0), ('PRGNLONESte', 1), ('PRGNLONEte', 1), ('PRGSTRNt', -1.0), ('PRISTte', -1.0), ('PRO_Dtde', -1.0), ('PRO1x', 0), ('PROARGASPt', 0), ('PROARGCYSt', 0), ('PROASNCYSt', 0), ('PROCYSt', 0), ('PRODt2r', 0), ('PROGLNPROt', 0), ('PROGLULYSt', 0), ('PROGLYPEPT1tc', 0), ('PROGLYPRO1c', 0), ('PROGLyt', -1.0), ('PROHISt', 0), ('PROHISTYRt', 0), ('PROIMINOtc', 0), ('PROLEUARGt', 0), ('PROLYSPROt', 0), ('PROPAT4te', 0), ('PROPHEt', 0), ('PROPROARGt', 0), ('PROPROPROt', 0), ('PROSTGD2t', 0), ('PROSTGE1t', 0), ('PROSTGE1t3', 0), ('PROSTGE2t', 1), ('PROSTGE2t2', 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('TRPPROVALt', 0), ('TRPSERTYRt', 0), ('TRPt', 0), ('TRPt4', 0), ('TRPTHRGLUt', 0), ('TRPTHRILEt', 0), ('TRPTHRTYRt', 0), ('TRPTYRGLNt', 0), ('TRPTYRTYRt', 0), ('TRPVALASPt', 0), ('TRYPTAte', 0), ('TSTSTERONEGLCte', 1), ('TSTSTERONESte', -1.0), ('TSTSTERONEt', -1.0), ('TSULt4_3', 0), ('TTDCAFATPc', -1.0), ('TTDCAtr', 0), ('TTDCEAATP', -1.0), ('TTDCEAt', -1.0), ('TTDCRNNAt', -1.0), ('TUDCA3Sabc', 0), ('TUDCA3St', 0), ('TXA2te', -1.0), ('TXB2t', -1.0), ('TYMSFt', -1.0), ('TYMte', 0), ('TYMte2', 0), ('TYRALAPHEt', 0), ('TYRALAt', 0), ('TYRARGGLUt', 0), ('TYRARGSERt', 0), ('TYRASPARGt', 0), ('TYRATB0tc', 0), ('TYRB0AT3tc', 0), ('TYRCYSGLYt', 0), ('TYRCYSTHRt', 0), ('TYRGLUt', 0), ('TYRLEUARGt', 0), ('TYRPHETYRt', 0), ('TYRt', 0), ('TYRt4', 0), ('TYRTHRt', 0), ('TYRTRPPHEt', 0), ('TYRTYRt', 0), ('TYRVALMETt', 0), ('UCHOLabc', 0), ('UCHOLt', 0), ('UCHOLt2', 0), ('UDCA3Sabc', 0), ('UDCA3St', 0), ('UDCHOLt', 0), ('UDCHOLt2', 0), ('UDPGLCURtr', -1.0), ('URAt', 0), ('URATEt', -1.0), ('URCANt', -1.0), ('UREAt', 0), ('UREAt5', 0), ('URIt', 0), ('URIt2r', 0), ('URIt4', 0), ('URIt5le', 0), ('VACCt', -1.0), ('VALARGGLYt', 0), ('VALATB0tc', 0), ('VALB0AT3tc', 0), ('VALHISASNt', 0), ('VALLEUPHEt', 0), ('VALLYSTYRt', 0), ('VALPHEARGt', 0), ('VALPROTRPt', 0), ('VALSERARGt', 0), ('VALt4', 0), ('VALtec', 0), ('VALTRPPHEt', 0), ('VALTRPVALt', 0), ('VALVALt', 0), ('VANILLACte', -1.0), ('VITD3t', -1.0), ('VITEtl', 0), ('VITKtl', -1.0), ('WHARACHDt', -1.0), ('WHDDCAte', -1.0), ('WHHDCAte', -1.0), ('WHTSTSTERONEte', -1.0), ('WHTTDCAte', -1.0), ('XANtr', -1.0), ('XMPtr', -1.0), ('XOL24OHte', -1.0), ('XOL25OHte', -1.0), ('XOL27OHte', -1.0), ('XOL7AH3ATP', 0), ('XOL7AH3t', 0), ('XOL7AONEATP', 0), ('XOL7AONEt', 0), ('XOLDIOLONEATP', 0), ('XOLEST182_HSte', -1.0), ('XOLEST183te', -1.0), ('XOLEST205_HSte', -1.0), ('XOLEST226_HSte', -1.0), ('XOLEST2te', -1.0), ('XOLESTte', -1.0), ('XOLTRI24te', -1.0), ('XOLTRI25te', -1.0), ('XOLTRI27te', -1.0), ('XTSNtr', -1.0), ('XYLt', 1), ('XYLTt', -1.0), ('XYLUDte', -1.0), ('XYLULte', -1.0), ('YVITEt', -1.0), ('ACGAGBSIDEtg', -1.0), ('ACGALFUCGALACGALFUC12GAL14ACGLCGALGLUSIDEtg', -1.0), ('ACGALFUCGALACGALFUCGALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('ACGALtlg', -1.0), ('ACGBGBSIDEtg', -1.0), ('ACN13ACNGALGBSIDEtg', -1.0), ('ACN23ACNGALGBSIDEtg', -1.0), ('ACNACNGAL14ACGLCGALGLUSIDEtg', -1.0), ('ACNACNGALGBSIDEtg', -1.0), ('ACNGALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('ACtg', -1.0), ('ATPtg', -1.0), ('CERT1gt', 1), ('CERT2gt', 1), ('CHOLPtg', -1.0), ('CHOLtg', -1.0), ('CHSTEROLtg', 0), ('CMPACNAtg', 0), ('CO2tg', -1.0), ('COAtg', -1.0), ('DAG_HStg', -1.0), ('DHCRMtg', -1.0), ('DIGALSGALSIDEtg', -1.0), ('DIGALSIDEtg', -1.0), ('F1Atg', -1.0), ('FUC13GALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUC14GALACGLCGALGLUSIDEtg', -1.0), ('FUCACGALFUCGALACGLCGALGLUSIDEtg', -1.0), ('FUCACNGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCACNGALACGLCGALGLUSIDEtg', -1.0), ('FUCFUC12GAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCFUC132GALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCFUCFUCGALACGLC13GALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCFUCFUCGALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCFUCGALACGLCGALGLUSIDEtg', -1.0), ('FUCGAL14ACGLCGALGLUSIDEtg', -1.0), ('FUCGALFUCGALACGLCGALGLUSIDEtg', -1.0), ('FUCGALGBSIDEtg', -1.0), ('GALACGLCGALGBSIDEtg', -1.0), ('GALFUC12GAL14ACGLCGALGLUSIDEtg', -1.0), ('GALFUCGALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('GALGALFUCFUCGALACGLCGALACGLCGAL14ACGLCGALGLUSIDEtg', -1.0), ('GALGALGALTHCRMtg', -1.0), ('GALGLUSIDEtg', -1.0), ('GALSIDEtg', -1.0), ('GD1Atg', -1.0), ('GD1B2tg', -1.0), ('GD1Ctg', -1.0), ('GDPFUCtg', 0), ('GDPtg', -1.0), ('GLCtg', 1), ('GMPtg', -1.0), ('GNCORE1t', -1.0), ('GNCORE2t', -1.0), ('GP1CALPHAtg', -1.0), ('GP1Ctg', -1.0), ('GQ1BALPHAtg', -1.0), ('GQ1Btg', -1.0), ('GT1Atg', -1.0), ('H2Otg', -1.0), ('HMR_1916', 1), ('HMR_4955', -1.0), ('HMR_7182', -1.0), ('HMR_7330', -1.0), ('HMR_7431', -1.0), ('HMR_7432', -1.0), ('HMR_7437', -1.0), ('HMR_8084', -1.0), ('HMR_8086', -1.0), ('HMR_9665', -1.0), ('HMR_9667', -1.0), ('HMR_9669', -1.0), ('HMR_9670', -1.0), ('HMR_9671', -1.0), ('Htg', -1.0), ('Kt3g', 1), ('NAt3_1g', 1), ('OAGD3tg', -1.0), ('OAGT3tg', -1.0), ('PA_HStg', -1.0), ('PAPStg', 0), ('PAPtg', -1.0), ('PCHOL_HStg', -1.0), ('PHCRMtg', -1.0), ('PHSPHINGStg', -1.0), ('PItg', -1.0), ('Rtotaltg', -1.0), ('Ser_Thrtg', -1.0), ('SGALSIDEtg', -1.0), ('SPHGNtg', -1.0), ('SPHINGStg', -1.0), ('SPHMYLNtg', -1.0), ('UDPGALtg', 0), ('UDPGLCAtg', -1.0), ('UDPXYLtg', 0), ('UGALNACtg', 0), ('UGLCNACtg', 1), ('XSERtg', -1.0), ('10FTHF5GLUtl', -1.0), ('10FTHF6GLUtl', -1.0), ('10FTHF7GLUtl', -1.0), ('10FTHFtl', -1.0), ('5DHFtl', -1.0), ('5THFtl', -1.0), ('6DHFtl', -1.0), ('6THFtl', -1.0), ('7DHFtl', -1.0), ('7THFtl', -1.0), ('ABUTt2rL', 0), ('ACGAGBSIDEtl', -1.0), ('ACGALtly', -1.0), ('ACGAMtly', -1.0), ('ACGBGBSIDEtl', -1.0), ('ACNAMlt', 0), ('ADNtl', 0), ('ATPasel', 0), ('CHOLPtl', -1.0), ('COAtl', -1.0), ('CRVNCtl', -1.0), ('CSPG_Atly', -1.0), ('CSPG_Btly', -1.0), ('CSPG_Ctly', -1.0), ('CSPG_Dtly', -1.0), ('CSPG_Etly', -1.0), ('CYTDtl', 0), ('DHFtl', -1.0), ('DIGALSIDEtl', -1.0), ('DPCOAtl', -1.0), ('FALDtly', -1.0), ('FUCtly', -1.0), ('GALGLUSIDEtl', -1.0), ('GALSIDEtl', -1.0), ('GALtly', -1.0), ('GBSIDEtl', -1.0), ('GD1Btl', -1.0), ('GD3tlc', -1.0), ('GLCtly', -1.0), ('GLCURtly', 0), ('GLUt7l', -1.0), ('GSNtl', 0), ('H2O2tly', -1.0), ('H2Otly', -1.0), ('HAtly', -1.0), ('HMR_0769', -1.0), ('HMR_0831', -1.0), ('HMR_0913', -1.0), ('HMR_2087', -1.0), ('HMR_2090', -1.0), ('HMR_3597', -1.0), ('HMR_5249', -1.0), ('HMR_7198', -1.0), ('HMR_7199', -1.0), ('HMR_7711', -1.0), ('HMR_7715', -1.0), ('HMR_7720', -1.0), ('HMR_7724', -1.0), ('HMR_7727', -1.0), ('HMR_8588', -1.0), ('HMR_8590', -1.0), ('HSPGtly', -1.0), ('IDOURtly', 0), ('KSII_CORE2tly', -1.0), ('KSII_CORE4tly', -1.0), ('KSItly', -1.0), ('MANtly', -1.0), ('MEOHtly', -1.0), ('N2M2NMASNtly', -1.0), ('NO2te', -1.0), ('r0932', -1.0), ('r0937', -1.0), ('r0984', 0), ('r0986', -1.0), ('r0987', -1.0), ('r1052', -1.0), ('r1150', -1.0), ('r1298', -1.0), ('r1299', -1.0), ('r1301', -1.0), ('r1302', -1.0), ('r1304', -1.0), ('r1364', -1.0), ('r1365', -1.0), ('r1367', -1.0), ('r1368', -1.0), ('Rtotaltl', -1.0), ('S2L2FN2M2MASNtly', -1.0), ('S2L2N2M2MASNtly', -1.0), ('SGALSIDEtl', -1.0), ('SO4tl', -1.0), ('SPHINGStl', -1.0), ('SPHMYLNtl', -1.0), ('THCRMtl', -1.0), ('THFtl', -1.0), ('THYMDtl', 0), ('TMNDNCtl', -1.0), ('UDPACGALtl', -1.0), ('UDPtl', -1.0), ('Uritl', 0), ('XOLEST182tl', -1.0), ('XOLEST183tl', -1.0), ('XOLEST205tl', -1.0), ('XOLEST226tl', -1.0), ('XYLtly', -1.0), ('2MB2COAc', 1), ('3HBCOARc', 1), ('ADRNCRNt', -1.0), ('C141ACBP', 1), ('C142ACBP', 1), ('C161CRN2t', -1.0), ('C161CRNt', -1.0), ('C162ACBP', 1), ('C181CRNt', -1.0), ('C204CRNt', -1.0), ('C226CRNt', -1.0), ('CLPNDCRNt', -1.0), ('DCSPTN1CRNt', -1.0), ('DLNLCGCRNt', -1.0), ('DMHPTCRNt', -1.0), ('DMNONCRNt', -1.0), ('EICOSTETCRNt', -1.0), ('ELAIDCRNt', -1.0), ('GLUTCOAACBP', 1), ('HDCACBP', 1), ('HDDACBP', 1), ('HDECAACBP', 1), ('HDECEACBP', 1), ('HEXCOAACBP', 1), ('HIVCACBP', 1), ('HOCDACBP', 1), ('HOCTDACBP', 1), ('HPDCACRNt', -1.0), ('HTDCACBP', 1), ('LNELDCCRNt', -1.0), ('LNLCCRNt', -1.0), ('LNLNCACRNt', -1.0), ('LNLNCGCRNt', -1.0), ('OCD11CRNCACT', 0), ('OCTDEC2ACBP', 1), ('OCTDECCACT', 0), ('PCRNtm', -1.0), ('PTDCACRNt', -1.0), ('r1400', -1.0), ('r1401', -1.0), ('RTOTAL3CRNt', 0), ('STRDNCCRNt', -1.0), ('TETPENT3CRNt', -1.0), ('TETPENT6CRNt', -1.0), ('TETTET6CRNt', -1.0), ('TMNDNCCRNt', -1.0), ('10FTHF5GLUtm', -1.0), ('10FTHF6GLUtm', -1.0), ('10FTHF7GLUtm', -1.0), ('10FTHFtm', -1.0), ('11DOCRTSLtm', -1.0), ('11DOCRTSTRNtm', -1.0), ('1A25HVITD2tm', -1.0), ('24_25DHVITD2tm', -1.0), ('24_25DHVITD3tm', -1.0), ('25HVITD2tin_m', -1.0), ('25HVITD3tin_m', -1.0), ('2M3HBUtm', -1.0), ('2M3OVACtm', -1.0), ('2MOPtm', -1.0), ('34HPLtm', -1.0), ('3AIB_Dtm', -1.0), ('3AIBtmi', 0), ('3HIVActm', -1.0), ('3HMPtm', -1.0), ('3HPPtm', -1.0), ('3MGLUTACtm', -1.0), ('3MOBt2im', -1.0), ('3MOPt2im', -1.0), ('3OHGLUTACtm', -1.0), ('3SALAASPm', 0), ('4ABUTtm', -1.0), ('4HBZtm', -1.0), ('4MOPt2im', -1.0), ('4MPTNLtm', -1.0), ('4OHBUTtmc', -1.0), ('5EIPENCtm', 0), ('5THFtm', -1.0), ('6DHFtm', -1.0), ('6THFtm', -1.0), ('7DHFtm', -1.0), ('7THFtm', -1.0), ('AACTtm', -1.0), ('ACACt2m', 1), ('ACALDtm', -1.0), ('ACETONEt2m', 1), ('ACGLUtm', -1.0), ('ACGLYtc', -1.0), ('ACHOMtm', -1.0), ('ACILEtm', -1.0), ('ACLEUtm', -1.0), ('ACRNtm', 0), ('ACt2m', -1.0), ('ACTHRtc', -1.0), ('ACTYRtc', -1.0), ('ADNtm', 0), ('AGRMtm', -1.0), ('AHCYStd', -1.0), ('AKGMALtm', 0), ('ALDSTRNtm', -1.0), ('AMETt2m', 1), ('AMETtd', -1.0), ('ARGtm', 0), ('ASNtm', -1.0), ('ASPGLUm', 0), ('ATPtm', 1), ('BALAtmr', -1.0), ('BGLYtm', -1.0), ('BHBtm', -1.0), ('BTNt2m', 1), ('BUTt2m', 1), ('BZtm', -1.0), ('C02712tm', -1.0), ('C05953tm', -1.0), ('C4tmc', 0), ('CBL2tm', 0), ('CDPDAGtm', -1.0), ('CE2026tm', -1.0), ('CE2176tm', -1.0), ('CE4968tm', -1.0), ('CE4970tm', -1.0), ('CHLtm', -1.0), ('CHSTEROLt1', 1), ('CHSTEROLt2', -1.0), ('CHSTEROLt3', -1.0), ('CITRtm', 0), ('CITtam', 1), ('CITtbm', 1), ('CO2tm', -1.0), ('COAtm', 0), ('CRNtim', 0), ('CRTSLtm', -1.0), ('CRTSTRNtm', -1.0), ('CYANtm', -1.0), ('CYTDtm', 0), ('D_LACtm', 1), ('DATPtm', -1.0), ('DCMPtm', -1.0), ('DCTPtm', -1.0), ('DECDPtm', -1.0), ('DGSNtm', -1.0), ('DGTPtm', -1.0), ('DHAPtc', -1.0), ('DHFtm', -1.0), ('DMGtm', -1.0), ('DNDPt10m', 0), ('DNDPt11m', 0), ('DNDPt12m', 0), ('DNDPt13m', 0), ('DNDPt14m', 0), ('DNDPt15m', 0), ('DNDPt16m', 0), ('DNDPt17m', 0), ('DNDPt18m', 0), ('DNDPt19m', 0), ('DNDPt1m', 0), ('DNDPt20m', 0), ('DNDPt21m', 0), ('DNDPt23m', 0), ('DNDPt24m', 0), ('DNDPt25m', 0), ('DNDPt28m', 0), ('DNDPt2m', 0), ('DNDPt30m', 0), ('DNDPt31m', 0), ('DNDPt32m', 0), ('DNDPt37m', 0), ('DNDPt38m', 0), ('DNDPt39m', 0), ('DNDPt3m', 0), ('DNDPt40m', 0), ('DNDPt41m', 0), ('DNDPt42m', 0), ('DNDPt43m', 0), ('DNDPt44m', 0), ('DNDPt45m', 0), ('DNDPt46m', 0), ('DNDPt47m', 0), ('DNDPt48m', 0), ('DNDPt49m', 0), ('DNDPt4m', 0), ('DNDPt50m', 0), ('DNDPt51m', 0), ('DNDPt52m', 0), ('DNDPt53m', 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('r0571', -1.0), ('r0603', 0), ('r0643', 1), ('r0655', 0), ('r0669', 0), ('RE1266C', -1.0), ('VALTA', 0), ('VALTAm', 0), ('BCDO', 0), ('HMR_6632', 1), ('HMR_6633', 1), ('HMR_6647', 0), ('HMR_6672', -1.0), ('LRAT', 0), ('LRAT1', -1.0), ('LRAT2', -1.0), ('ORETNF', -1.0), ('ORETNF2', -1.0), ('RADH', -1.0), ('RADH2', -1.0), ('RADH3', -1.0), ('RADH4', -1.0), ('RAHY', -1.0), ('RAI1', -1.0), ('RAI2', -1.0), ('RAI3', 0), ('RAI4', -1.0), ('RDH1', 0), ('RDH1a', 1), ('RDH2', 0), ('RDH2a', 1), ('RDH3', 0), ('RDH3a', 1), ('RDH4', 0), ('RE1901R', -1.0), ('RE1903R', -1.0), ('RE2147C', 0), ('RE2651R', -1.0), ('RE2655R', -1.0), ('RE2658C', -1.0), ('RE2658R', -1.0), ('RE2659R', -1.0), ('RE3050R', -1.0), ('RETFA', -1.0), ('RETH', 0), ('RETH1', -1.0), ('RETH1e', -1.0), ('RETH2', -1.0), ('RETH2e', -1.0), ('RETHe', -1.0), ('RETI1', -1.0), ('RETI2', -1.0), ('RETI3', -1.0), ('UGT1A5r', 0), ('UGT1A5r2', 0), ('CBL2OR', -1.0), ('ACP1_FMN_', 1), ('FADDP', 0), ('FADDPle', 0), ('FERO', 0), ('FMNAT', 1), ('HMR_6511', 0), ('NTD5_a', -1.0), ('RBFK', 0), ('RE3347C', -1.0), ('HYPOE', 0), ('PDX5PO', 0), ('PDXPP', 0), ('PYAM5POr', 0), ('PYDAMK', 1), ('PYDXDH', 0), ('PYDXK', 1), ('PYDXNK', 1), ('PYDXPP', 0), ('r0388', 0), ('r0389', 0), ('ASCBOX', -1.0), ('DASCBH', -1.0), ('DASCBR', 0), ('DOGULNO1', -1.0), ('GLACO', 1), ('GLNLASEer', -1.0), ('GLRASE', -1.0), ('GTHDH', -1.0), ('RE2898C', -1.0), ('UROLACer', -1.0), ('1a_24_25VITD2Hm', -1.0), ('1a_25VITD2Hm', -1.0), ('24_25VITD2Hm', 0), ('24_25VITD3Hm', 0), ('25HVITD3c', 0), ('25VITD2Hm', 0), ('25VITD3Hm', 0), ('HMR_2114', -1.0), ('PVD3', -1.0), ('RE1303C', -1.0), ('RE2240C', -1.0), ('TS3', -1.0), ('VD3', -1.0), ('HMR_6456', -1.0), ('HMR_6500', -1.0), ('RE2327C', -1.0), ('RE2705C', -1.0), ('RE2948C', -1.0), ('EX_lvstacid[e]', -1.0), ('EX_ptvstm13[e]', -1.0), ('AIRCr_PRASCS', -1.0), ('r0683', 0), ('biomass_reaction_Mphage', -1.0), ('RTOT_3', -1.0), ('ARTFR13', -1.0)])\n", - "[ 0. 0. 0. ... -1. -1. -1.]\n", - "1's: 6296\n", - "2's: 0\n", - "model\n", - "Genes: 797\n", - "Metabolites: 5311\n", - "Reactions: 6296\n", - "1.0*biomass_reaction_Mphage - 1.0*biomass_reaction_Mphage_reverse_6cff5\n", - "\n" - ] - } - ], - "source": [ - "# create tissue specific model, the names of output files are stored in dictionary tissue_spec_model\n", - "tissue_spec_model = {}\n", - "reconAlgorithm = \"GIMME\" # troppo reconstruction algorithm to use\n", - "\n", - "for key,value in tissue_gene_exp.items():\n", - " tissuefile = '{}_SpecificModel.mat'.format(key)\n", - " tissue_spec_model[key] = tissuefile\n", - " tissue_gene_file = re.split('/|\\\\\\\\', value)[-1]\n", - " tissue_gene_folder = os.path.join(configs.rootdir, 'data', key)\n", - " os.makedirs(tissue_gene_folder, exist_ok=True)\n", - " cmd = ' '.join(['python3', 'create_tissue_specific_model.py', \n", - " '-m', '\"{}\"'.format(GeneralModelFile), \n", - " '-g', '\"{}\"'.format(tissue_gene_file),\n", - " '-o', '\"{}\"'.format(tissuefile),\n", - " '-a', '\"{}\"'.format(reconAlgorithm)])\n", - " !{cmd}\n", - "\n", - "print(tissue_spec_model)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Step 3: Identifying disease related genes by analyzing transcriptomics data of patients\n", - "Differential Expression Analysis\n", - "\n", - "Only 1 disease to be analyzed, output files in data folder" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "*** Specify input files for step 3 here ***" - ] - }, - { - "cell_type": "code", - "execution_count": 2, - "metadata": {}, - "outputs": [], - "source": [ - "#input filename transcriptomics data of disease\n", - "disease_gene_file = 'disease_transcriptomics_data_inputs.xlsx'" - ] - }, - { - "cell_type": "code", - "execution_count": 4, - "metadata": { - "scrolled": true - }, - "outputs": [ - { - "name": "stdout", - "output_type": "stream", - "text": [ - "Input file is \" disease_transcriptomics_data_inputs.xlsx\n", - "Initialize project (GSE56649):\n", - "Root: G:/GitHub/MADRID/docker/pipelines/\n", - "Raw data: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366348.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366349.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366350.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366351.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366352.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366353.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366354.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366355.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366356.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366357.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366358.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366359.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366360.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366361.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366362.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366363.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366364.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366365.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366366.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366367.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366368.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570" - ] - }, - { - "name": "stderr", - "output_type": "stream", - "text": [ - "C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\pandas2ri.py:17: FutureWarning: pandas.core.index is deprecated and will be removed in a future version. The public classes are available in the top-level namespace.\n", - " from pandas.core.index import Index as PandasIndex\n", - "Traceback (most recent call last):\n", - " File \"disease_analysis.py\", line 123, in \n", - " main(sys.argv[1:])\n", - " File \"disease_analysis.py\", line 83, in main\n", - " data2 = affyio.fitaffydir(rawdir, targetdir)\n", - " File \"C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\functions.py\", line 178, in __call__\n", - " return super(SignatureTranslatedFunction, self).__call__(*args, **kwargs)\n", - " File \"C:\\Users\\babes\\Anaconda3\\lib\\site-packages\\rpy2\\robjects\\functions.py\", line 106, in __call__\n", - " res = super(Function, self).__call__(*new_args, **new_kwargs)\n", - "rpy2.rinterface.RRuntimeError: Error in file(file, \"rt\") : cannot open the connection\n", - "\n" - ] - }, - { - "name": "stdout", - "output_type": "stream", - "text": [ - "\n", - "Retrieve Sample: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GSM1366369.tar\n", - "Extract to: G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Retrieve Samples Completed.\n", - "GPL570:affy, G:/GitHub/MADRID/docker/pipelines/data\\GSE56649_RAW\\GPL570\n", - "Error in file(file, \"rt\") : cannot open the connection\n", - "In addition: Warning message:\n", - "In file(file, \"rt\") :\n", - " cannot open file 'data\\targets.txt': No such file or directory\n" - ] - } - ], - "source": [ - "# Differential gene expression analysis\n", - "cmd = ' '.join(['python3', 'disease_analysis.py', \n", - " '-i', '\"{}\"'.format(disease_gene_file)])\n", - "!{cmd}" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "# load the results of step 3 to dictionary 'disease_files'\n", - "step3_results_file = os.path.join(configs.datadir, 'step2_results_files.json')\n", - "with open(step3_results_file) as json_file:\n", - " disease_files = json.load(json_file)\n", - "print(disease_files)" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "## Step 4: Identification of drug targets and repurposable drugs\n", - "This step maps drug targets in metabolic models,prforms knock out simulation, and compare simulation results with disease genes and identifies drug targets and repurposable drugs\n", - "\n", - "*** Specify input files for step 4 here ***\n", - "\n", - "1. Instruction: A processed Drug-Target file is included in the `/root/pipelines/data/`. (Optional step) For the updated versions the users can download `Repurposing_Hub_export.txt` from [Drug Repurposing Hub](https://clue.io/repurposing-app). From the downloaded file first remove all the activators, agonists, and withdrawn drugs and then upload to to `/root/pipelines/data/`." - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "2. To use automatically created tissue specific models. Note: It is recommended to use refined and validated models for further analysis. User can define cutomized models in next sub-step." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "# tissue specific models\n", - "tissue_spec_model" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "Disease_Down = disease_files['DN_Reg']\n", - "Disease_Up = disease_files['UP_Reg']\n", - "drug_raw_file = 'Repurposing_Hub_export.txt'" - ] - }, - { - "cell_type": "markdown", - "metadata": {}, - "source": [ - "3. To use customized model, please specify `tissue_spec_model` manually, e.g. uncomment tissue_spec_model in the following cell." - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [ - "# Manually specify Up and Down Regulated Genes for Disease. (Please upload manually created files `/pipelines/data/`. Use filenames as given belwo or change them accordingly.)\n", - "# Disease_Down = 'Disease_DOWN.txt'\n", - "# Disease_Up = 'Disease_UP.txt'\n", - "# drug_raw_file = 'Repurposing_Hub_export.txt'\n", - "\n", - "# Manually specify tissue specific models fine-tuned by user. Change names of the files accordingly. Users can use single or multiple models here. Using multiple models, simulation time will increase.\n", - "# tissue_spec_model = {'Th1':'Th1Model.mat',\n", - "# 'Th2':'Th2Model.mat',\n", - "# 'Th17':'Th17Model.mat',\n", - "# 'Naive':'NaiveModel.mat'}\n", - "\n", - "# Manually specify tissue specific model created by matlab cobratoolbox. For example run, we have provided four models of CD4+ T cells (niave, Th1, Th2, and Th17) please uncomment all or any specific model\n", - "# tissue_spec_model = {'Th1':'Th1_SpecificModel_matlab.mat',\n", - "# 'Th2':'Th2_SpecificModel_matlab.mat',\n", - "# 'Th17':'Th17_SpecificModel_matlab.mat',\n", - "# 'Naive':'Naive_SpecificModel_matlab.mat'}\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": { - "scrolled": true - }, - "outputs": [], - "source": [ - "# Knock out simulation for the analyzed tissues\n", - "for key,value in tissue_spec_model.items():\n", - " tissueSpecificModelfile = value\n", - " tissue_gene_folder = os.path.join(configs.datadir, key)\n", - " os.makedirs(tissue_gene_folder, exist_ok=True)\n", - " inhibitors_file = '{}_inhibitors_Entrez.txt'.format(key)\n", - " cmd = ' '.join(['python3' , 'knock_out_simulation.py',\n", - " '-t', tissueSpecificModelfile,\n", - " '-i', inhibitors_file,\n", - " '-u', Disease_Up,\n", - " '-d', Disease_Down,\n", - " '-f', key,\n", - " '-r', drug_raw_file])\n", - " !{cmd}\n", - " \n", - " # copy generated output to output folder\n", - " cmd = ' '.join(['cp', '-a', os.path.join(configs.datadir, key), configs.outputdir])\n", - " !{cmd}\n", - " #break\n" - ] - }, - { - "cell_type": "code", - "execution_count": null, - "metadata": {}, - "outputs": [], - "source": [] - } - ], - "metadata": { - "kernelspec": { - "display_name": "Python 3", - "language": "python", - "name": "python3" - }, - "language_info": { - "codemirror_mode": { - "name": "ipython", - "version": 3 - }, - "file_extension": ".py", - "mimetype": "text/x-python", - "name": "python", - "nbconvert_exporter": "python", - "pygments_lexer": "ipython3", - "version": "3.7.3" - } - }, - "nbformat": 4, - "nbformat_minor": 2 -} diff --git a/docs/images/file.svg b/docs/images/file.svg new file mode 100644 index 00000000..9d30fd26 --- /dev/null +++ b/docs/images/file.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/docs/images/folder.svg b/docs/images/folder.svg new file mode 100644 index 00000000..80da5544 --- /dev/null +++ b/docs/images/folder.svg @@ -0,0 +1 @@ + \ No newline at end of file diff --git a/main/py/tests/inputs/test_async_bioservices_input.csv b/main/py/tests/inputs/test_async_bioservices_input.csv new file mode 100644 index 00000000..c422ccf8 --- /dev/null +++ b/main/py/tests/inputs/test_async_bioservices_input.csv @@ -0,0 +1,11 @@ +Gene Symbol,Ensembl Gene ID +TP53,ENSG00000141510 +TNF,ENSG00000232810 +EGFR,ENSG00000146648 +VEGFA,ENSG00000112715 +APOE,ENSG00000130203 +IL6,ENSG00000136244 +TGFB1,ENSG00000105329 +MTHFR,ENSG00000177000 +ESR1,ENSG00000091831 +AKT1,ENSG00000142208 diff --git a/main/py/tests/inputs/test_proteomics_input.csv b/main/py/tests/inputs/test_proteomics_input.csv new file mode 100644 index 00000000..61caf362 --- /dev/null +++ b/main/py/tests/inputs/test_proteomics_input.csv @@ -0,0 +1,2 @@ +url,cell_type,study +ftp://ftp.pride.ebi.ac.uk/pride/data/archive/2015/02/PXD001065/Aus-141_2.raw,cd8NaiveT,S1 diff --git a/main/py/tests/test_gse_pipeline_fast.py b/main/py/tests/test_gse_pipeline_fast.py new file mode 100644 index 00000000..2e468ec5 --- /dev/null +++ b/main/py/tests/test_gse_pipeline_fast.py @@ -0,0 +1,20 @@ +import os +import sys + +# Add parent directory to path, allows us to import the "project.py" file from the parent directory +# From: https://stackoverflow.com/a/30536516/13885200 +sys.path.append(os.path.dirname(os.path.dirname(os.path.abspath(__file__)))) +import GSEpipelineFast +from fixtures.fixture_main_dir import main_dir +import project + +configs = project.configs +madrid_work_dir = os.path.dirname(os.path.dirname(os.path.dirname(os.path.dirname(os.path.abspath(__file__))))) + + +def test_download_gsm_id_maps(main_dir): + config = project.configs + data_dir = config.datadir + gse = "" + gpls = [] + vendor = ""