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Comparison of in-silico modelling and reversed-phase liquid chromatographic retention on an octadecyl silica column to predict skin permeability of pharmaceutical and cosmetic compounds.

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第一作者： Yasmine,Grooten

第一单位： Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, B-1090, Brussels, Belgium.

作者： Yasmine,Grooten ^[1] ; Aleksandra,Sych ^[1] ; Debby,Mangelings ^[1] ; Yvan,Vander Heyden ^[2]

作者单位： Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, B-1090, Brussels, Belgium. ^[1] Vrije Universiteit Brussel (VUB), Department of Analytical Chemistry, Applied Chemometrics and Molecular Modelling, Laarbeeklaan 103, B-1090, Brussels, Belgium. Electronic address: yvan.vander.heyden@vub.be. ^[2]

关键词 Chromatographic descriptor In-Silico modelling Quantitative retention-activity relationship models Quantitative structure-activity relationship models Skin permeability Theoretical descriptors

主题词色谱法, 反相(Chromatography, Reverse-Phase);通透性(Permeability);药用制剂(Pharmaceutical Preparations);量化构效关系(Quantitative Structure-Activity Relationship);二氧化硅(Silicon Dioxide)

DOI 10.1016/j.jpba.2021.114095

PMID 33933706

发布时间 2021-06-17

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准确一般字义偏差语意偏离译文作用小提交