GPCRLigNet: rapid screening for GPCR active ligands using machine learning
Jacob M. Remington, Kyle T. McKay, Noah B Beckage, Jonathon B. Ferrell, Severin T. Schneebeli, Jianing Li
Topics & Concepts
Virtual screeningChemical spaceDocking (animal)DecoyG protein-coupled receptorDrug discoveryComputational biologyArtificial intelligenceComputer scienceReceptorMachine learningCheminformaticsChemistryBiologyBioinformaticsBiochemistryNursingMedicineComputational Drug Discovery MethodsReceptor Mechanisms and SignalingChemical Synthesis and Analysis