Using Machine Learning To Predict Partition Coefficient (Log P) and Distribution Coefficient (Log D) with Molecular Descriptors and Liquid Chromatography Retention Time
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c01373
Abstract: During preclinical evaluations of drug candidates, several physicochemical (p-chem) properties are measured and employed as metrics to estimate drug efficacy in vivo. Two such p-chem properties are the octanol-water partition coefficient, Log P, and distribution… read more here.
Keywords: liquid chromatography; coefficient log; distribution; log ... See more keywords
Application of RP-18 TLC Retention Data to the Prediction of the Transdermal Absorption of Drugs
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DOI: 10.3390/ph14020147
Abstract: Several chromatographic parameters (RM0 and S obtained from RP-18 TLC with methanol—pH 7.4 phosphate buffer mobile phases by extrapolation to zero concentration of methanol; Rf and RM obtained from RP-18 TLC with acetonitrile—pH 7.4 phosphate… read more here.
Keywords: model based; coefficient log; energy; coefficient ... See more keywords