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Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software

Yoshiyuki Kobayashi, Kenichi Yoshida

2020Environmental Research45 citationsDOI

Topics & Concepts

Quantitative structure–activity relationshipMolecular descriptorDecision treeSoftwareComputer scienceGradient boostingBiological systemAlgorithmMachine learningRange (aeronautics)ChemistryArtificial intelligenceData miningRandom forestMaterials scienceProgramming languageComposite materialBiologyComputational Drug Discovery MethodsChemistry and Chemical EngineeringPharmaceutical and Antibiotic Environmental Impacts
Quantitative structure–property relationships for the calculation of the soil adsorption coefficient using machine learning algorithms with calculated chemical properties from open-source software | Litcius