Combined Application of Cheminformatics- and Physical Force Field-Based Scoring Functions Improves Binding Affinity Prediction for CSAR Data Sets

Jui-Hua Hsieh, Shuangye Yin, Shubin Liu, Alexander Sedykh, Nikolay V. Dokholyan, Alexander Tropsha
2011 Journal of Chemical Information and Modeling  
doi:10.1021/ci200146e pmid:21780807 pmcid:PMC3183266 fatcat:a3mpg6litjffxoecillhubxqie