The hepatotoxic potential of protein kinase inhibitors predicted with Random Forest and Artificial Neural Networks.

In this study, the structure-activity relationship of PKIs in relation to hepatotoxicity was investigated. A dataset of 165 PKIs was compiled and the probability of human hepatotoxicity with two different machine learning algorithms (Random Forest and Artificial Neural Networks) was analysed. The estimated probability of hepatotoxicity was generally high for single PKIs. However, depending on the target kinase of the PKI, a difference in hepatotoxic potential could be observed. The similarity of the PKIs to each other is caused by the conserved site of action of the protein kinases. Hepatotoxicity may therefore always be an issue in PKIs. PMID: 30315951 [PubMed - as supplied by publisher]
Source: Toxicology Letters - Category: Toxicology Authors: Tags: Toxicol Lett Source Type: research