In silico prediction of chemical respiratory toxicity via machine learning
Zhiyuan Wang, Piaopiao Zhao, Xiaoxiao Zhang, Xuan Xu, Weihua Li, Guixia Liu, Yun Tang
Topics & Concepts
ToxicityIn silicoChemical toxicityComputer scienceMachine learningArtificial intelligenceDrug discoveryBinary classificationTraining setComputational biologyBioinformaticsChemistryBiologySupport vector machineBiochemistryOrganic chemistryGeneComputational Drug Discovery MethodsAnalytical Chemistry and ChromatographyMetabolomics and Mass Spectrometry Studies