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Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms Journal article
Journal of Cheminformatics, 2021,Volume: 13,Issue: 1
Authors:  Ye, Zhuyifan;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2022/01/14
Deep Learning  Lightgbm  Machine Learning  Organic Solvents  Qspr  Solubility Prediction  
Computational pharmaceutics - A new paradigm of drug delivery Journal article
Journal of Controlled Release, 2021,Volume: 338,Page: 119-136
Authors:  Wang, Wei;  Ye, Zhuyifan;  Gao, Hanlu;  Ouyang, Defang
Favorite |  | TC[WOS]:1 TC[Scopus]:1 | Submit date:2021/12/08
Artificial intelligence  Computational pharmaceutics  Machine learning  Mathematical modeling  Molecular modeling  PBPK modeling  Process simulation  
PharmDE: A new expert system for drug-excipient compatibility evaluation Journal article
International Journal of Pharmaceutics, 2021,Volume: 607
Authors:  Wang, Nannan;  Sun, Huimin;  Dong, Jie;  Ouyang, Defang
Favorite |  | TC[WOS]:3 TC[Scopus]:2 | Submit date:2021/12/08
Drug-excipient Compatibility  Formulation Design  Expert System  Database  Prediction  Artificial Intelligence  
Development of arteannuin B sustained-release microspheres for anti-tumor therapy by integrated experimental and molecular modeling approaches Journal article
Pharmaceutics, 2021,Volume: 13,Issue: 8
Authors:  Wang, Yanqing;  Huang, Weijuan;  Wang, Nannan;  Ouyang, Defang;  Xiao, Lifeng;  Zhang, Sirui;  Ou, Xiaozheng;  He, Tingsha;  Yu, Rongmin;  Song, Liyan
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/12/08
Antitumor activity  Arteannuin B  Microsphere  Molecular modeling  Pharmacokinetics  PLGA  Sustained release  
PharmSD: A novel AI-based computational platform for solid dispersion formulation design Journal article
International Journal of Pharmaceutics, 2021,Volume: 604
Authors:  Dong, Jie;  Gao, Hanlu;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:2 | Submit date:2021/12/08
Computational platform  Drug design  Formulation  Machine learning  Solid dispersion  Web server  
Prediction of Free Drug Absorption in Cyclodextrin Formulation by a Modified Physiologically Based Pharmacokinetic Model and Phase Solubility 3-D Surface Graph Journal article
Pharmaceutical Research, 2021,Volume: 38,Issue: 7,Page: 1157-1168
Authors:  Wang, Wei;  Ouyang, Defang
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cyclodextrin  free fraction  PBPK  phase solubility  
Using Acetone/Water Binary Solvent to Enhance the Stability and Bioavailability of Spray Dried Enzalutamide/HPMC-AS Solid Dispersions Journal article
Journal of Pharmaceutical Sciences, 2021,Volume: 110,Issue: 3,Page: 1160-1171
Authors:  Zhang,Xiaoting;  Rao,Qiuhong;  Qiu,Zhenwen;  Lin,Yisheng;  Zhang,Lei;  Hu,Qingzhong;  Chen,Tingting;  Ma,Zhimin;  Gao,Hanlu;  Luo,Dandong;  Zhao,Jiaqi;  Ouyang,Defang;  Zhang,Zhenyu Jason;  Li,Qingguo
Favorite |  | TC[WOS]:2 TC[Scopus]:3 | Submit date:2021/03/02
Amorphous Solid Dispersion  Drug-excipient Interaction  Particle Size  Poorly Water-soluble Drug  Spray Drying  
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  
Integrated in silico formulation design of self-emulsifying drug delivery systems Journal article
Acta Pharmaceutica Sinica B, 2021
Authors:  Gao, Haoshi;  Jia, Haoyue;  Dong, Jie;  Yang, Xinggang;  Li, Haifeng;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:3 | Submit date:2021/10/02
Central composite design  Meloxicam  Molecular dynamic simulation  Random forest  Self-emulsifying drug delivery system  
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]:7 TC[Scopus]:9 | Submit date:2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion