Application of interpretable machine learning models to improve the prediction performance of ionic liquids toxicity
Dingchao Fan, Ke Xue, Runqi Zhang, Wenguang Zhu, Hongru Zhang, Jianguang Qi, Zhaoyou Zhu, Yinglong Wang, Peizhe Cui
Topics & Concepts
Machine learningRandom forestArtificial intelligenceHyperparameterComputer scienceRobustness (evolution)Biochemical engineeringChemistryEngineeringBiochemistryGeneIonic liquids properties and applicationsElectrochemical Analysis and ApplicationsComputational Drug Discovery Methods