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Rethinking 3D-QSAR

The average error of pIC50 prediction reported for 140 structures in make-and-test applications of topomer CoMFA by four discovery organizations is 0.5. This remarkable accuracy can be understood to result from a topomer pose’s goal of generating field differences only at lattice intersections adjac...

詳細記述

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書誌詳細
第一著者: Cramer, Richard D.
フォーマット: Artigo
言語:Inglês
出版事項: Springer Netherlands 2010
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC3051061/
https://ncbi.nlm.nih.gov/pubmed/21110063
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-010-9403-z
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