Poster: Comparison of Metasite and StarDrop Prediction of CYP3A4, CYP2C9 and CYP2D6

semanticscholar(2019)

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摘要
Metabolite identification studies play an important role in determining the sites of metabolic liability of new chemical entities (NCEs) in drug discovery. However, generating these complex and detailed studies in a highthroughput environment is often a challenge. Therefore, the use of in silico tools that can predict the sites of metabolism of an NCE could enhance the drug design process. In this study we compare the utility of MetaSite and Stardrop, two predictive softwares available for this purpose...
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