Machine learning-based q-RASAR predictions of the bioconcentration factor of organic molecules estimated following the organisation for economic co-operation and development guideline 305
Souvik Pore, A. Pelloux, Mainak Chatterjee, Arkaprava Banerjee, Kunal Roy
Topics & Concepts
BioconcentrationBioaccumulationQuantitative structure–activity relationshipPartial least squares regressionGuidelineFish <Actinopterygii>Set (abstract data type)Range (aeronautics)ChemistryEnvironmental chemistryComputer scienceEngineeringMachine learningStereochemistryBiologyFisheryPolitical scienceLawProgramming languageAerospace engineeringSpectroscopy and Chemometric AnalysesWater Quality Monitoring and AnalysisComputational Drug Discovery Methods