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Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques Journal article
Acta Pharmaceutica Sinica B, 2019,Volume: 9,Issue: 6,Page: 1241-1252
Authors:  Zhao,Qianqian;  Ye,Zhuyifan;  Su,Yan;  Ouyang,Defang
Favorite |  | TC[WOS]:12 TC[Scopus]:15 | Submit date:2021/03/02
Binding free energy  Cyclodextrin  Deep learning  Ketoprofen  LightGBM  Machine learning  Molecular modeling  Random forest