Prediction of KRASG12C inhibitors using conjoint fingerprint and machine learning-based QSAR models
Tarapong Srisongkram, Patcharapa Khamtang, Natthida Weerapreeyakul
Topics & Concepts
PubChemQuantitative structure–activity relationshipFingerprint (computing)Artificial intelligenceChemistryComputer scienceMachine learningDatabaseOrganic chemistryComputational Drug Discovery MethodsRNA and protein synthesis mechanismsMicrobial Natural Products and Biosynthesis