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Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR model

Hui Zhang, Chen Shen, Hongrui Zhang, Wenxuan Chen, Qing-Qing Luo, Lan Ding

2021Molecular Diversity15 citationsDOI

Topics & Concepts

PharmacophoreQuantitative structure–activity relationshipVirtual screeningDrug discoveryFeature (linguistics)Computer scienceArtificial intelligenceMachine learningChemistryComputational biologyStereochemistryBiologyBiochemistryPhilosophyLinguisticsComputational Drug Discovery MethodsProtein Structure and DynamicsMetabolomics and Mass Spectrometry Studies
Discovery of novel DGAT1 inhibitors by combination of machine learning methods, pharmacophore model and 3D-QSAR model | Litcius