Predicting Complexation Performance between Cyclodextrins and Guest Molecules by Integrated Machine learning and Molecular Modeling Techniques

出版年份 2019 全文链接

标题

作者

关键词

Machine learning, Deep learning, LightGBM, Random forest, Cyclodextrin, Binding free energy, Molecular modeling, Ketoprofen

出版物

Volume -, Issue -, Pages -

出版商

Elsevier BV

发表日期

2019-05-09

DOI

10.1016/j.apsb.2019.04.004

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