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GitHub topics: ligand-based-drug-design

Adam-maz/Fingerprints-based_tool_for_small_drug_screening

Here I provide small drug screening toolkit based on RandomForrestClassifier

Language: Jupyter Notebook - Size: 1.21 MB - Last synced at: 26 days ago - Pushed at: 26 days ago - Stars: 0 - Forks: 0

Adam-maz/ChEMBL_parsing_script

Script that enable researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.

Language: R - Size: 67.4 KB - Last synced at: about 2 months ago - Pushed at: 5 months ago - Stars: 0 - Forks: 0

Related Keywords
chembl 2 ligand-based-drug-design 2 medicinal-chemistry 2 structure-based-drug-design 1 smiles 1 rstudio 1 r 1 histamine-receptor-3 1 data-parsing 1 computer-aided-drug-design 1 bioactivity 1 random-forest-classifier 1 molecular-screening 1 machine-learning 1 ipython-notebook 1 fingerprints 1 binary-classification 1