Predicting Hepatotoxicity of Drug Metabolites via an Ensemble Approach Based on Support Cector Machine.

CONCLUSIONS: We developed an in silico model to predict hepatotoxicity of drug metabolites. Moreover, Bayesian inference was applied to predict the hepatotoxicity of a drug based on its metabolites which brought out valuable high sensitivity and specificity.
PMID: 29165069 [PubMed - as supplied by publisher]

Source: Combinatorial Chemistry and High Throughput Screening - November 20, 2017 Category: Chemistry Authors: Lu Y, Liu L, Lu D, Cai Y, Zheng M, Luo X, Jiang H, Chen K Tags: Comb Chem High Throughput Screen Source Type: research