Prediction of aquatic toxicity of chemical mixtures by the QSAR approach using 2D structural descriptors
Mainak Chatterjee, Kunal Roy
Topics & Concepts
Photobacterium phosphoreumSelenastrumQuantitative structure–activity relationshipPartial least squares regressionBiological systemBiochemical engineeringAquatic toxicologyOrganic chemicalsMolecular descriptorChemical toxicityToxicityEnvironmental chemistryChemistryComputer scienceBiologyMachine learningOrganic chemistryEngineeringStereochemistryComputational Drug Discovery MethodsSpectroscopy and Chemometric AnalysesAdvanced Chemical Sensor Technologies