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Integrated computer-aided formulation design: A case study of andrographolide/ cyclodextrin ternary formulation Journal article
Asian Journal of Pharmaceutical Sciences, 2021,Volume: 16,Issue: 4,Page: 494-507
Authors:  Gao, Haoshi;  Su, Yan;  Wang, Wei;  Xiong, Wei;  Sun, Xiyang;  Ji, Yuanhui;  Yu, Hua;  Li, Haifeng;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:3 | Submit date:2021/10/02
Andrographolide  Cyclodextrins  Integrated Computer-aided Formulation Design  Machine Learning  Molecular Dynamic Simulation  Physiologically Based Absorption Modeling  
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]:6 TC[Scopus]:8 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Decoding active components in a formulation of multiple herbs for treatment of psoriasis based on three cell lines fishing and liquid chromatography-mass spectrometry analysis Journal article
Journal of Pharmaceutical and Biomedical Analysis, 2020,Volume: 186
Authors:  Chen,Lingxiao;  Chen,Haiming;  Lu,Yue;  Han,Ling;  Wang,Shenfei;  Liu,Meiting;  Li,Xiong;  Zhao,Jing;  Lu,Chuanjian;  Li,Shaoping
Favorite |  | TC[WOS]:1 TC[Scopus]:1 | Submit date:2021/03/01
Cell Fishing  Chinese Medicine Formula  Lc-ms  Psoriasis  
Enhancement of oral bioavailability and anti-Parkinsonian efficacy of resveratrol through a nanocrystal formulation Journal article
Asian Journal of Pharmaceutical Sciences, 2020,Volume: 15,Issue: 4,Page: 518-528
Authors:  Xiong,Sha;  Liu,Wei;  Zhou,Yile;  Mo,Yousheng;  Liu,Yao;  Chen,Xiaojia;  Pan,Huafeng;  Yuan,Dongsheng;  Wang,Qi;  Chen,Tongkai
Favorite |  | TC[WOS]:9 TC[Scopus]:8 | Submit date:2021/03/02
Anti-parkinsonian Efficacy  Brain Permeability  Nanocrystals  Oral Absorption  Resveratrol  
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]:10 TC[Scopus]:12 | Submit date:2021/03/01
Machine Learning  Nanocrystals  Particle Size  Polydispersity Index (Pdi)  Prediction  
The gap analysis between Chinese pharmaceutical academia and industry from 2000 to 2018 Journal article
Scientometrics, 2020,Volume: 122,Issue: 2,Page: 1113-1128
Authors:  Zhong,Hao;  Ouyang,Defang
Favorite |  | TC[WOS]:2 TC[Scopus]:3 | Submit date:2021/03/02
Chinese Pharmaceutical Academia  Gap Analysis  Pharmaceutical Industry  Pharmaceutics  r&d Capacity  
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]:27 TC[Scopus]:32 | Submit date:2021/03/02
Binding Free Energy  Cyclodextrin  Deep Learning  Ketoprofen  Lightgbm  Machine Learning  Molecular Modeling  Random Forest  
Investigation of molecular aggregation mechanism of glipizide/cyclodextrin complexation by combined experimental and molecular modeling approaches Journal article
Asian Journal of Pharmaceutical Sciences, 2019,Volume: 14,Issue: 6,Page: 609-620
Authors:  Huang,Tianhe;  Zhao,Qianqian;  Su,Yan;  Ouyang,Defang
Favorite |  | TC[WOS]:6 TC[Scopus]:6 | Submit date:2021/03/02
Aggregation  Cyclodextrin  Glipizide  Molecular Mechanism  Molecular Modeling  
Investigating molecular interactions of high-loaded glipizide-HPMCAS microparticles by integrated experimental and modeling techniques Journal article
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2019,Volume: 131,Page: 127-135
Authors:  Qiang Li;  Qianqian Zhao;  Qiufang Jing;  Xiaosi Ma;  Ning Chen;  Guobin Ren;  Defang Ouyang;  Fuzheng Ren
Favorite |  | TC[WOS]:7 TC[Scopus]:6 | Submit date:2020/03/25
Glipizide  Hydroxypropyl Methylcellulose Acetate  Succinate (Hpmcas)  Molecular Interaction  Molecular Dynamics Simulation  
Deep learning for in vitro prediction of pharmaceutical formulations Journal article
Acta Pharmaceutica Sinica B, 2019,Volume: 9,Issue: 1,Page: 177-185
Authors:  Yang Y.;  Ye Z.;  Su Y.;  Zhao Q.;  Li X.;  Ouyang D.
Favorite |  | TC[WOS]:41 TC[Scopus]:45 | Submit date:2019/02/14
Automatic Dataset Selection Algorithm  Deep Learning  Oral Fast Disintegrating Films  Oral Sustained Release Matrix Tablets  Pharmaceutical Formulation  Small Data