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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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Detalles Bibliográficos
Autores principales:	Fukunishi, Yoshifumi, Yamasaki, Satoshi, Yasumatsu, Isao, Takeuchi, Koh, Kurosawa, Takashi, Nakamura, Haruki
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley and Sons Inc. 2016
Materias:	Full Papers
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5297997/ https://www.ncbi.nlm.nih.gov/pubmed/28001004 http://dx.doi.org/10.1002/minf.201600013

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