“Data fusion” quantitative read-across structure-activity-activity relationships (q-RASAARs) for the prediction of toxicities of binary and ternary antibiotic mixtures toward three bacterial species
Mainak Chatterjee, Kunal Roy
Topics & Concepts
Quantitative structure–activity relationshipTernary operationPartial least squares regressionToxicityBacillus subtilisChemistryBiological systemComputational biologyBiologyMathematicsStereochemistryBacteriaComputer scienceStatisticsOrganic chemistryGeneticsProgramming languagePharmaceutical and Antibiotic Environmental ImpactsComputational Drug Discovery MethodsPesticide Residue Analysis and Safety