Molecular insights on ABL kinase activation using tree-based machine learning models and molecular docking
Philipe Oliveira Fernandes, Diego Martins, Aline de Souza Bozzi, João Paulo Ataíde Martins, Adolfo Henrique de Moraes, Vinícius Gonçalves Maltarollo
Topics & Concepts
Docking (animal)Computational biologyIn silicoAdaBoostDrug discoveryNilotinibPharmacophoreTyrosine kinaseChemistryDasatinibABLKinaseComputer scienceBiologyMachine learningBiochemistrySignal transductionMedicineSupport vector machineGeneNursingComputational Drug Discovery MethodsSynthesis and biological activityQuinazolinone synthesis and applications