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In silico formulation prediction of drug/cyclodextrin/polymer ternary complexes by machine learning and molecular modeling techniques Journal article
Carbohydrate Polymers, 2022,Volume: 275
Authors:  Li, Junjun;  Gao, Hanlu;  Ye, Zhuyifan;  Deng, Jiayin;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2022/02/21
Machine Learning  Molecular Modeling  Random Forest  Solubility Prediction  Ternary Cyclodextrin Complexes  
Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm Journal article
Acta Pharmaceutica Sinica B, 2022
Authors:  Wang, Wei;  Feng, Shuo;  Ye, Zhuyifan;  Gao, Hanlu;  Lin, Jinzhong;  Ouyang, Defang
Favorite |  | TC[WOS]:0 TC[Scopus]:1 | Submit date：2022/05/17
Formulation prediction  Ionizable lipid  LightGBM  Lipid nanoparticle  Machine learning  Molecular modeling  mRNA  Vaccine  
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]:9 TC[Scopus]:12 | Submit date：2021/12/08
Artificial Intelligence  Computational Pharmaceutics  Machine Learning  Mathematical Modeling  Molecular Modeling  Pbpk Modeling  Process Simulation  
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  
Comparative metabolic modeling of multiple sulfate-reducing prokaryotes reveals versatile energy conservation mechanisms Journal article
Biotechnology and Bioengineering, 2021,Volume: 118,Issue: 7,Page: 2676-2693
Authors:  Tang, Wen Tao;  Hao, Tian Wei;  Chen, Guang Hao
Favorite |  | TC[WOS]:2 TC[Scopus]:0 | Submit date：2021/12/08
Comparative Genomics  Dissimilatory Sulfate Reduction  Energy Metabolism  Genome-scale Metabolic Model  Metabolic Modeling  
Insights on failure modes of calcium-silicate-hydrate interface strengthened by polyacrylamides: Structure, dynamic and mechanical properties Journal article
Construction and Building Materials, 2021,Volume: 278
Authors:  Qiao, Gang;  Hou, Dongshuai;  Wang, Pan;  Lu, Zeyu
Favorite |  | TC[WOS]:1 TC[Scopus]:5 | Submit date：2021/12/07
Bond Stability  Molecular Dynamics Simulation  Pam Hydrolysis Degree  The Location Of Fracture Shifted  
Development of a Highly Water-Soluble Lycopene Cyclodextrin Ternary Formulation by the Integrated Experimental and Modeling Techniques Journal article
AAPS PharmSciTech, 2021,Volume: 22,Issue: 1
Authors:  Ma,Yan;  Zhong,Liuting;  Peng,Zhuo;  Liu,Xinyang;  Ouyang,Defang;  Guan,Shixia
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date：2021/03/02
Bioavailability  Hot-melt Extrusion  Lycopene  Molecular Dynamics Simulation  Ternary Formulation  
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]:4 | 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]:11 TC[Scopus]:14 | Submit date：2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
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]:1 TC[Scopus]:6 | Submit date：2021/10/02
Central composite design  Meloxicam  Molecular dynamic simulation  Random forest  Self-emulsifying drug delivery system