chembl

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Amirreza-Mousavi / Aspartate_Racemase_Ligands_Bioactivity_Prediction

This scripts tries to predict the bioactivity of 131 compounds related to Aspartate Racemase enzyme with the aid of decision trees and SVM

svm chemoinformatics decision-trees support-vector-machines smiles svm-model ligand dti chembl dti-prediction maccs-fingerprint aspartate-racemase bioactivity

Updated Feb 1, 2022
R

Adam-maz / ChEMBL_parsing_script

Star

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.

r rstudio smiles data-parsing chembl computer-aided-drug-design medicinal-chemistry bioactivity structure-based-drug-design ligand-based-drug-design histamine-receptor-3

Updated Dec 1, 2024
R

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