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Use of biomimetic chromatography and in vitro assay to develop predictive GA-MLR model for use in drug-property prediction among anti-depressant drug candidates

Szymon Ulenberg, Krzesimir Ciura, Paweł Georgiev, Monika Pastewska, Grzegorz Ślifirski, Marek Król, Franciszek Herold, Tomasz Bączek

2022Microchemical Journal21 citationsDOI

Topics & Concepts

Molecular descriptorLipophilicityDrugChemistryDrug developmentDrug discoveryQuantitative structure–activity relationshipLinear regressionChromatographyPharmacologyMachine learningComputer scienceStereochemistryBiologyBiochemistryComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyPharmacogenetics and Drug Metabolism
Use of biomimetic chromatography and in vitro assay to develop predictive GA-MLR model for use in drug-property prediction among anti-depressant drug candidates | Litcius