Utilities to programmatically query the PubChem database
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Sep 9, 2025 - Julia
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pubchem-database
Here are 9 public repositories matching this topic...
A collection of Alfred workflows
macos alfred alfred-workflow fritzbox smart-home pubchem simpsons devonagent pubchem-database molar-mass
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Dec 1, 2024 - Shell
moleXa is a web application that makes it easy to explore and visualize molecules in 3D
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Jul 7, 2025 - TypeScript
Identifying Drugs similar to prednisone for the treatment of Autoimmune Pancreatitis. Tools such as RDKit, KNIME are used, Datasets are extracted for reference and analysis from PubChem. The goal of this project to explore potential drug alternatives using computational tools like KNIME.
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Apr 16, 2025
chemistry metabolomics mass-spectrometry lcms metabolomics-database xcalibur pubchem-database exactmass
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Jul 11, 2021 - HTML
An educational backend proxy server for PubChem API access with enhanced molecular data and features.
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Jul 4, 2025 - JavaScript
A Python script predicting pIC50 values of compounds obtained from the ChEMBL database against the target protein, aromatase. The molecular descriptor used in this script is PubChem fingerprint.
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Oct 21, 2022 - Jupyter Notebook
Retrieve PubChem data in tabular format
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Aug 6, 2025 - HTML
Extracting SMILE Structure and IUPAC Name of Drugs from PubChem using Drug Names
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Feb 21, 2023 - Jupyter Notebook
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