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Predicting liposome formulations by the integrated machine learning and molecular modeling approaches Journal article
Han, Run, Ye, Zhuyifan, Zhang, Yunsen, Cheng, Yaxin, Zheng, Ying, Ouyang, Defang. Predicting liposome formulations by the integrated machine learning and molecular modeling approaches[J]. Asian Journal of Pharmaceutical Sciences, 2023, 18(3), 100811.
Authors:  Han, Run;  Ye, Zhuyifan;  Zhang, Yunsen;  Cheng, Yaxin;  Zheng, Ying; et al.
Favorite | TC[WOS]:13 TC[Scopus]:13  IF:10.7/9.0 | Submit date：2023/06/05
Formulation Prediction  Liposome  Machine Learning  Molecular Modeling  
How can machine learning and multiscale modeling benefit ocular drug development? Review article
2023
Authors:  Wang, Nannan;  Zhang, Yunsen;  Wang, Wei;  Ye, Zhuyifan;  Chen, Hongyu; et al.
Favorite | TC[WOS]:10 TC[Scopus]:16  IF:15.2/17.6 | Submit date：2023/06/05
Computational Pharmaceutics  In Silico modelIng & Simulation  Machine Learning  Mathematical Modeling  Molecular Modeling  Ocular Drug Development  Pharmacokinetic/pharmacodynamic Modeling  
Investigation of β-caryophyllene as terpene penetration enhancer: Role of stratum corneum retention Journal article
Tang, Qinghan, Xu, Fei, Wei, Xuchao, Gu, Jingyue, Qiao, Pengli, Zhu, Xuemin, Yin, Shaoping, Ouyang, Defang, Dong, Jie, Yao, Junhong, Wang, Yiwei, Chen, Jun. Investigation of β-caryophyllene as terpene penetration enhancer: Role of stratum corneum retention[J]. EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, 2023, 183, 106401.
Authors:  Tang, Qinghan;  Xu, Fei;  Wei, Xuchao;  Gu, Jingyue;  Qiao, Pengli; et al.
Favorite | TC[WOS]:3 TC[Scopus]:6  IF:4.3/4.2 | Submit date：2023/05/02
Penetration Enhancer  Molecular Dynamic Modeling  Stratum Corneum Retention  Transdermal Drug Delivery  
Synthesis of Carrier-Free Paclitaxel–Curcumin Nanoparticles: The Role of Curcuminoids Journal article
Sena Karaosmanoglu, Yunsen Zhang, Wenli Zhou, Defang Ouyang, Xianfeng Chen. Synthesis of Carrier-Free Paclitaxel–Curcumin Nanoparticles: The Role of Curcuminoids[J]. Bioengineering-Basel, 2022, 9(12), 815.
Authors:  Sena Karaosmanoglu;  Yunsen Zhang;  Wenli Zhou;  Defang Ouyang;  Xianfeng Chen
Favorite | TC[WOS]:3 TC[Scopus]:3 | Submit date：2023/01/30
Hydrophobic Anticancer Drugs  Curcumin  Paclitaxel  Carrier-free Nanoparticles  Self-assembly  Molecular Modeling  
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 lipid nanoparticles for mRNA vaccines by the machine learning algorithm Journal article
Wang, Wei, Feng, Shuo, Ye, Zhuyifan, Gao, Hanlu, Lin, Jinzhong, Ouyang, Defang. Prediction of lipid nanoparticles for mRNA vaccines by the machine learning algorithm[J]. Acta Pharmaceutica Sinica B, 2021, 12(6), 2950 - 2962.
Authors:  Wang, Wei;  Feng, Shuo;  Ye, Zhuyifan;  Gao, Hanlu;  Lin, Jinzhong; et al.
Favorite | TC[WOS]:56 TC[Scopus]:59  IF:14.7/14.1 | 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 Review article
2021
Authors:  Wang, Wei;  Ye, Zhuyifan;  Gao, Hanlu;  Ouyang, Defang
Favorite | TC[WOS]:83 TC[Scopus]:108  IF:10.5/10.6 | 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
Wang, Yanqing, Huang, Weijuan, Wang, Nannan, Ouyang, Defang, Xiao, Lifeng, Zhang, Sirui, Ou, Xiaozheng, He, Tingsha, Yu, Rongmin, Song, Liyan. Development of arteannuin B sustained-release microspheres for anti-tumor therapy by integrated experimental and molecular modeling approaches[J]. PHARMACEUTICS, 2021, 13(8), 1236.
Authors:  Wang, Yanqing;  Huang, Weijuan;  Wang, Nannan;  Ouyang, Defang;  Xiao, Lifeng; et al.
Favorite | TC[WOS]:2 TC[Scopus]:4  IF:4.9/5.5 | Submit date：2021/12/08
Antitumor Activity  Arteannuin b  Microsphere  Molecular Modeling  Pharmacokinetics  Plga  Sustained Release  
An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design Journal article
Gao,Hanlu, Wang,Wei, Dong,Jie, Ye,Zhuyifan, Ouyang,Defang. An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design[J]. European Journal of Pharmaceutics and Biopharmaceutics, 2021, 158, 336-346.
Authors:  Gao,Hanlu;  Wang,Wei;  Dong,Jie;  Ye,Zhuyifan;  Ouyang,Defang
Favorite | TC[WOS]:35 TC[Scopus]:46  IF:4.4/4.8 | Submit date：2021/03/02
Dissolution Profile  Machine Learning  Molecular Dynamics (Md) Simulations  Pharmacokinetic Modeling  Solid Dispersion  
Integrated computer-aided formulation design: A case study of andrographolide/ cyclodextrin ternary formulation Journal article
Gao, Haoshi, Su, Yan, Wang, Wei, Xiong, Wei, Sun, Xiyang, Ji, Yuanhui, Yu, Hua, Li, Haifeng, Ouyang, Defang. Integrated computer-aided formulation design: A case study of andrographolide/ cyclodextrin ternary formulation[J]. Asian Journal of Pharmaceutical Sciences, 2021, 16(4), 494-507.
Authors:  Gao, Haoshi;  Su, Yan;  Wang, Wei;  Xiong, Wei;  Sun, Xiyang; et al.
Favorite | TC[WOS]:10 TC[Scopus]:15  IF:10.7/9.0 | Submit date：2021/10/02
Andrographolide  Cyclodextrins  Integrated Computer-aided Formulation Design  Machine Learning  Molecular Dynamic Simulation  Physiologically Based Absorption Modeling