Automated read-across workflow for predicting acute oral toxicity: I. The decision scheme in the QSAR toolbox
Stela Kutsarova, Aycel Mehmed, Daniela Cherkezova, Stoyanka Stoeva, Мarin Georgiev, Todor Petkov, Atanas Chapkanov, T.W. Schultz, Ovanes Mekenyan
Topics & Concepts
Quantitative structure–activity relationshipToolboxWorkflowAcute toxicityComputer scienceScheme (mathematics)ToxicityClassification schemeChemical toxicityData miningChemistryBiological systemMachine learningDatabaseMathematicsMathematical analysisProgramming languageOrganic chemistryBiologyComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyPesticide Residue Analysis and Safety