Chemical similarity and machine learning-based approaches for the prediction of aquatic toxicity of binary and multicomponent pharmaceutical and pesticide mixtures against Aliivibrio fischeri
Mainak Chatterjee, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipBiochemical engineeringPartial least squares regressionMolecular descriptorBiological systemSimilarity (geometry)PesticideBinary numberChemistryBinary classificationMachine learningArtificial intelligenceComputer scienceSupport vector machineMathematicsEcologyStereochemistryEngineeringBiologyArithmeticImage (mathematics)Pharmaceutical and Antibiotic Environmental ImpactsComputational Drug Discovery MethodsAnalytical Methods in Pharmaceuticals