Quantitative Structure‐activity Relationship (QSAR) Models for Docking Score Correction

In order to improve docking score correction, we developed several structure‐based quantitative structure activity relationship (QSAR) models by protein‐drug docking simulations and applied these models to public affinity data. The prediction models used descriptor‐based regression, and the compound...

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Detalhes bibliográficos
Publicado no:Mol Inform
Main Authors: Fukunishi, Yoshifumi, Yamasaki, Satoshi, Yasumatsu, Isao, Takeuchi, Koh, Kurosawa, Takashi, Nakamura, Haruki
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2016
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Full Papers
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5297997/
https://ncbi.nlm.nih.gov/pubmed/28001004
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201600013
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