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| An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design Journal article European Journal of Pharmaceutics and Biopharmaceutics, 2021,Volume: 158,Page: 336-346 Authors: Gao,Hanlu; Wang,Wei; Dong,Jie; Ye,Zhuyifan; Ouyang,Defang
 Favorite | | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/02 Dissolution profile Machine learning molecular dynamics (MD) simulations Pharmacokinetic modeling Solid dispersion |
| Can machine learning predict drug nanocrystals? Journal article Journal of Controlled Release, 2020,Volume: 322,Page: 274-285 Authors: He,Yuan; Ye,Zhuyifan; Liu,Xinyang; Wei,Zhengjie; Qiu,Fen; Li,Hai Feng; Zheng,Ying; Ouyang,Defang
 Favorite | | TC[WOS]:2 TC[Scopus]:3 | Submit date:2021/03/01 Machine learning Nanocrystals Particle size Polydispersity index (PDI) Prediction |
| Predicting drug/phospholipid complexation by the lightGBM method Journal article Chemical Physics Letters, 2020,Volume: 747 Authors: Gao,Haoshi; Ye,Zhuyifan; Dong,Jie; Gao,Hanlu; Yu,Hua; Li,Haifeng; Ouyang,Defang
 Favorite | | TC[WOS]:2 TC[Scopus]:2 | Submit date:2021/03/02 |
| 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 |
| Predicting physical stability of solid dispersions by machine learning techniques Journal article Journal of Controlled Release, 2019,Volume: 311-312,Page: 16-25 Authors: Han,Run; Xiong,Hui; Ye,Zhuyifan; Yang,Yilong; Huang,Tianhe; Jing,Qiufang; Lu,Jiahong; Pan,Hao; Ren,Fuzheng; Ouyang,Defang
 Favorite | | TC[WOS]:22 TC[Scopus]:22 | Submit date:2021/03/02 Machine learning Molecular modeling Physical stability Solid dispersion |