In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts

During drug development, safety is always the most important issue, including a variety of toxicities and adverse drug effects, which should be evaluated in preclinical and clinical trial phases. This review article at first simply introduced the computational methods used in prediction of chemical...

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Udgivet i:Front Chem
Main Authors: Yang, Hongbin, Sun, Lixia, Li, Weihua, Liu, Guixia, Tang, Yun
Format: Artigo
Sprog:Inglês
Udgivet: Frontiers Media S.A. 2018
Fag:
Chemistry
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5826228/
https://ncbi.nlm.nih.gov/pubmed/29515993
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2018.00030
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