Predicting chemical toxicity effects based on chemical-chemical interactions.

Toxicity is a major contributor to high attrition rates of new chemical entities in drug discoveries. In this study, an order-classifier was built to predict a series of toxic effects based on data concerning chemical-chemical interactions under the assumption that interactive compounds are more lik...

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Bibliographic Details
Main Authors: Lei Chen, Jing Lu, Jian Zhang, Kai-Rui Feng, Ming-Yue Zheng, Yu-Dong Cai
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2013-01-01
Series:PLoS ONE
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/23457578/pdf/?tool=EBI