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Molecular image-convolutional neural network (CNN) assisted QSAR models for predicting contaminant reactivity toward OH radicals: Transfer learning, data augmentation and model interpretation

Data AugmentationDrug TargetEngineeringMachine LearningConvolutional Neural NetworkPredictive ToxicologyMedicineMolecular PropertyMolecular Property PredictionTransfer LearningChemistryOh RadicalsDeep LearningPharmacologyTarget PredictionDrug Discovery