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Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromatics

Andrés Halabi, Elizabeth Rincón, Eduardo Chamorro

2022Toxicology in Vitro12 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipChemistryMolecular descriptorAqueous solutionSolventCarcinogenDecision treeComputational chemistryOrganic chemistryMachine learningComputer scienceStereochemistryComputational Drug Discovery MethodsFree Radicals and AntioxidantsChemistry and Chemical Engineering
Machine learning predictive classification models for the carcinogenic activity of activated metabolites derived from aromatic amines and nitroaromatics | Litcius