Identification of potential matrix metalloproteinase-2 inhibitors from natural products through advanced machine learning-based cheminformatics approaches
Ruoqi Yang, Guiping Zhao, Bin Cheng, Bin Yan
Topics & Concepts
CheminformaticschEMBLVirtual screeningADMEPharmacophoreIn silicoMachine learningDocking (animal)ChemistryArtificial intelligenceComputational biologyComputer scienceBioinformaticsDrug discoveryBiochemistryComputational chemistryBiologyIn vitroNursingMedicineGeneComputational Drug Discovery MethodsProtease and Inhibitor MechanismsMicrobial Metabolism and Applications