Development of an in silico consensus model for the prediction of the phospholipigenic potential of small molecules
Sebastian Schieferdecker, Andreas Eberlein, Esther Vock, Mario Beilmann
Topics & Concepts
PhospholipidosisIn silicoDrug developmentIn vivoComputational biologyApplicability domainDrug discoveryComputer scienceIn vitroSmall moleculeDrugData miningMachine learningBiologyBioinformaticsQuantitative structure–activity relationshipPharmacologyPhospholipidBiochemistryMembraneBiotechnologyGeneComputational Drug Discovery MethodsProtein Structure and DynamicsMetabolomics and Mass Spectrometry Studies