Modeling the toxicity of ionic liquids based on deep learning method
Dingchao Fan, Ke Xue, Yangyang Liu, Wenguang Zhu, Yusen Chen, Peizhe Cui, Shiqin Sun, Jianguang Qi, Zhaoyou Zhu, Yinglong Wang, Yinglong Wang
Topics & Concepts
HyperparameterConvolutional neural networkArtificial intelligenceComputer scienceTest setBayesian optimizationDeep learningMolecular descriptorSet (abstract data type)Artificial neural networkMachine learningQuantitative structure–activity relationshipPattern recognition (psychology)Programming languageIonic liquids properties and applicationsComputational Drug Discovery MethodsAdvanced Chemical Sensor Technologies