Prediction of hERG potassium channel blockage using ensemble learning methods and molecular fingerprints
Miao Liu, Li Zhang, Shimeng Li, Tianzhou Yang, Lili Liu, Jian Zhao, Hongsheng Liu
Topics & Concepts
hERGCardiotoxicityArtificial intelligenceClassifier (UML)Cross-validationEnsemble learningComputer scienceMachine learningReceiver operating characteristicEnsemble forecastingPattern recognition (psychology)Potassium channelChemistryMedicineInternal medicineToxicityOrganic chemistryComputational Drug Discovery MethodsCardiac electrophysiology and arrhythmiasMachine Learning in Materials Science