Physicochemical Property data extraction from small molecule

The purpose of this work is the modeling of the wine preferences by physicochemical properties. Such model is useful to support the oenologist wine tasting evaluations, improve and speed-up the wine production. A Neural Network was trained using Tensorflow, which was later tuned in order to achieve high-accuracy quality predictions.

ProtParam based program that outputs the id, pI, charge and molecular weight of each protein

Contains relevant project files to publicly available tautomer database "Tautobase" for DataWarrior

Exploratory Data Analysis (EDA) of Portuguese "vinho verde" wine dataset, examining physicochemical properties and quality scores.

An exon-intron boundary prediction DL method utilizing physicochemical properties of DNA

Prediction of the RMSD (Root Mean Square Deviation) of a decoy set using Physicochemical Properties of Protein Tertiary Structure Data Set using Machine Learning

multiparameter optimisation for filtering drugs by chemical properties