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Quantitative Analysis for Chinese and US-listed Pharmaceutical Companies by the LightGBM Algorithm Journal article
Zheng,Wenwen, Junjun Li,, Wang,Yu, Ye,Zhuyifan, Zhong,Hao, Kot,Hung Wan, Ouyang,Defang, Chan,Ging. Quantitative Analysis for Chinese and US-listed Pharmaceutical Companies by the LightGBM Algorithm[J]. Current Computer-Aided Drug Design, 2023, 19(6), 405-415.
Authors:  Zheng,Wenwen;  Junjun Li,;  Wang,Yu;  Ye,Zhuyifan;  Zhong,Hao; et al.
Favorite | TC[WOS]:0 TC[Scopus]:0  IF:1.5/1.5 | Submit date：2023/08/03
Algorithm  Lightgbm  Machine Learning  Pharmaceutical Industry  Quantitative Analysis  r&d  
Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms Journal article
Ye, Zhuyifan, Ouyang, Defang. Prediction of small-molecule compound solubility in organic solvents by machine learning algorithms[J]. Journal of Cheminformatics, 2021, 13(1), 98.
Authors:  Ye, Zhuyifan;  Ouyang, Defang
Favorite | TC[WOS]:40 TC[Scopus]:42  IF:7.1/9.3 | Submit date：2022/01/14
Deep Learning  Lightgbm  Machine Learning  Organic Solvents  Qspr  Solubility Prediction  
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]:58  IF:14.7/14.1 | Submit date：2022/05/17
Formulation Prediction  Ionizable Lipid  Lightgbm  Lipid Nanoparticle  Machine Learning  Molecular Modeling  Mrna  Vaccine  
Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques Journal article
Zhao,Qianqian, Ye,Zhuyifan, Su,Yan, Ouyang,Defang. Predicting complexation performance between cyclodextrins and guest molecules by integrated machine learning and molecular modeling techniques[J]. Acta Pharmaceutica Sinica B, 2019, 9(6), 1241-1252.
Authors:  Zhao,Qianqian;  Ye,Zhuyifan;  Su,Yan;  Ouyang,Defang
Favorite | TC[WOS]:60 TC[Scopus]:66  IF:14.7/14.1 | Submit date：2021/03/02
Binding Free Energy  Cyclodextrin  Deep Learning  Ketoprofen  Lightgbm  Machine Learning  Molecular Modeling  Random Forest