Predicting chemical toxicity effects based on chemical-chemical interactions.
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ABSTRACT:
SUBMITTER: Chen L
PROVIDER: S-EPMC3574107 | biostudies-literature | 2013
REPOSITORIES: biostudies-literature
Publications
Predicting chemical toxicity effects based on chemical-chemical interactions.
Chen Lei L Lu Jing J Zhang Jian J Feng Kai-Rui KR Zheng Ming-Yue MY Cai Yu-Dong YD
PloS one 20130215 2
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 likely to share similar toxicity profiles. According to their interaction confidence scores, the order from the most likely toxicity to the least was obtained for each compound. Ten test groups, each of ...[more]
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