Survey of Machine Learning Techniques for Prediction of the Isoform Specificity of Cytochrome P450 Substrates.

CONCLUSION: Both single-label and multi-label classification methods have demonstrated good performance on modelling and prediction of the isoform specificity of substrates based on their quantitative descriptors.
PMID: 30338736 [PubMed - as supplied by publisher]

Source: Current Drug Metabolism - October 18, 2018 Category: Drugs & Pharmacology Authors: Xiong Y, Qiao Y, Kihara D, Zhang HY, Zhu X, Wei DQ Tags: Curr Drug Metab Source Type: research