Application of machine learning models to predict cytotoxicity of ionic liquids using VolSurf principal properties
Grace Amabel Tabaaza, Bennet Nii Tackie-Otoo, Dzulkarnain Zaini, Daniel Asante Otchere, Bhajan Lal
Topics & Concepts
Quantitative structure–activity relationshipMachine learningArtificial intelligenceFeature selectionGradient boostingComputer scienceTest setRandom forestIonic liquids properties and applicationsComputational Drug Discovery MethodsElectrochemical Analysis and Applications