Amirreza-Mousavi / Aspartate_Racemase_Ligands_Simlarity_Score Star 1 Code Issues Pull requests An R script that uses MACCS166 chemical fingerprint and calculates Jaccard Index/Tanimoto Coefficient for a list of Aspartate Racemase Ligands r chemoinformatics ligand dti jaccard-index tanimoto-coefficient dti-prediction maccs-fingerprint aspartate-racemase Updated Feb 1, 2022 R
Amirreza-Mousavi / Aspartate_Racemase_Ligands_Bioactivity_Prediction Star 0 Code Issues Pull requests 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