Predicting Potent Compounds Using a Conditional Variational Autoencoder Based upon a New Structure–Potency Fingerprint
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DOI: 10.3390/biom13020393
Abstract: Prediction of the potency of bioactive compounds generally relies on linear or nonlinear quantitative structure–activity relationship (QSAR) models. Nonlinear models are generated using machine learning methods. We introduce a novel approach for potency prediction that… read more here.
Keywords: potency; structure; potency fingerprint; structure potency ... See more keywords