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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

2023Computational Toxicology20 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipMachine learningArtificial intelligenceFeature selectionGradient boostingComputer scienceTest setRandom forestIonic liquids properties and applicationsComputational Drug Discovery MethodsElectrochemical Analysis and Applications
Application of machine learning models to predict cytotoxicity of ionic liquids using VolSurf principal properties | Litcius