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In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques Journal article
Li, Junjun, Gao, Hanlu, Ye, Zhuyifan, Deng, Jiayin, Ouyang, Defang. In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques[J]. Carbohydrate Polymers, 2022, 275(118712).
Authors:  Li, Junjun;  Gao, Hanlu;  Ye, Zhuyifan;  Deng, Jiayin;  Ouyang, Defang
Favorite | TC[WOS]:16 TC[Scopus]:16  IF:10.7/10.2 | Submit date：2022/02/21
Machine Learning  Molecular Modeling  Random Forest  Solubility Prediction  Ternary Cyclodextrin Complexes  
Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms Journal article
Ye, Zhuyifan, Ouyang, Defang. Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms[J]. Journal of Cheminformatics, 2021, 13(1), 98.
Authors:  Ye, Zhuyifan;  Ouyang, Defang
Favorite | TC[WOS]:40 TC[Scopus]:42  IF:7.1/9.3 | Submit date：2022/01/14
Deep Learning  Lightgbm  Machine Learning  Organic Solvents  Qspr  Solubility Prediction