Poster: Comparison of Metasite and StarDrop Prediction of CYP3A4, CYP2C9 and CYP2D6 Young Shin and his colleagues at Genentech presented this poster at the ISSX North American Regional meeting in Baltimore, MD in October 2009. COMPARISON OF METASITE AND STARDROP...
Topological Polar Surface Area – Including S and P In J. Med. Chem., 2000, 43 (20), pp 3714–3717, Ertl et al. propose the calculation of two polar surface area values, the first reports the PSA for Nitrogen and Oxygen atoms only, the second also includes Sulfur...
Beyond Profiling: Using ADMET Models to Guide Decisions This article was published in Chemistry & Biodiversity, Volume 6, Issue 11, Pages 2144 – 2151 Abstract ADMET models, whether in silico or in vitro, are commonly used to ‘profile’ molecules, to identify...
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