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ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling

BACKGROUND: Determination of acute toxicity, expressed as median lethal dose (LD(50)), is one of the most important steps in drug discovery pipeline. Because in vivo assays for oral acute toxicity in mammals are time-consuming and costly, there is thus an urgent need to develop in silico prediction...

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Publicat a:J Cheminform
Autors principals: Lei, Tailong, Li, Youyong, Song, Yunlong, Li, Dan, Sun, Huiyong, Hou, Tingjun
Format: Artigo
Idioma:Inglês
Publicat: Springer International Publishing 2016
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC4736633/
https://ncbi.nlm.nih.gov/pubmed/26839598
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-016-0117-7
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