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Prediction of KRASG12C inhibitors using conjoint fingerprint and machine learning-based QSAR models

Tarapong Srisongkram, Patcharapa Khamtang, Natthida Weerapreeyakul

2023Journal of Molecular Graphics and Modelling17 citationsDOI

Topics & Concepts

PubChemQuantitative structure–activity relationshipFingerprint (computing)Artificial intelligenceChemistryComputer scienceMachine learningDatabaseOrganic chemistryComputational Drug Discovery MethodsRNA and protein synthesis mechanismsMicrobial Natural Products and Biosynthesis
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