Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder
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DOI: 10.1021/acs.jcim.1c01573
Abstract: Some of the most common applications of machine learning (ML) algorithms dealing with small molecules usually fall within two distinct domains, namely, the prediction of molecular properties and the design of novel molecules with some… read more here.
Keywords: prediction molecular; molecular properties; variational autoencoder; grammar variational ... See more keywords