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In silico prediction of metabolic stability for ester-containing molecules: Machine learning and quantum mechanical methods Journal article
Deng, Shiwei, Wu, Yiyang, Ye, Zhuyifan, Ouyang, Defang. In silico prediction of metabolic stability for ester-containing molecules: Machine learning and quantum mechanical methods[J]. Chemometrics and Intelligent Laboratory Systems, 2025, 257, 105292.
Authors:  Deng, Shiwei;  Wu, Yiyang;  Ye, Zhuyifan;  Ouyang, Defang
Favorite | TC[Scopus]:0  IF:3.7/3.7 | Submit date：2025/01/22
Carboxylic Ester  Machine Learning  Pharmacokinetics  Metabolic Stability  Chemometrics  Quantum Mechanics  
Modeling on in vivo disposition and cellular transportation of RNA lipid nanoparticles via quantum mechanics/physiologically-based pharmacokinetic approaches Journal article
Wang, Wei, Deng, Shiwei, Lin, Jinzhong, Ouyang, Defang. Modeling on in vivo disposition and cellular transportation of RNA lipid nanoparticles via quantum mechanics/physiologically-based pharmacokinetic approaches[J]. Acta Pharmaceutica Sinica B, 2024, 14(10), 4591-4607.
Authors:  ; et al.
Favorite | TC[WOS]:1 TC[Scopus]:2  IF:14.7/14.1 | Submit date：2024/09/03
Lipid Nanoparticle  Rna  Ionizable Lipid  In Vivo Transportation  Endosomal Escape  Metabolism  Quantum Mechanics  Physiologically-based Pharmacokinetics