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

Published 2019 View Full Article

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Title
Predicting Complexation Performance between Cyclodextrins and Guest Molecules by Integrated Machine learning and Molecular Modeling Techniques
Authors
Keywords
Machine learning, Deep learning, LightGBM, Random forest, Cyclodextrin, Binding free energy, Molecular modeling, Ketoprofen
Journal
Acta Pharmaceutica Sinica B
Volume -, Issue -, Pages -
Publisher
Elsevier BV
Online
2019-05-09
DOI
10.1016/j.apsb.2019.04.004

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