Publication | Open Access
In silico prediction of serious eye irritation or corrosion potential of chemicals
49
Citations
23
References
2017
Year
EngineeringChemical AnalysisOrganic ChemistryComputational ChemistryChemistryChemical FingerprintsSerious Eye IrritationChemical EngineeringChemical SafetyBioanalysisToxicologyAnalytical ChemistryBinary Classification ModelsToxicological AspectChromatographySilico PredictionChemical MeasurementBiochemistryChemical HazardChemometricsChemometric MethodPoisoningCorrosion PotentialPharmacologyPotential Ec/eiMolecular PropertyMass SpectrometryEnvironmental ToxicologyMedicineDrug Analysis
Chemical fingerprints combined with machine learning methods were used to build binary classification models for predicting the potential EC/EI of compounds.
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