Sc2Mol: a scaffold-based two-step molecule generator with variational autoencoder and transformer
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DOI: 10.1093/bioinformatics/btac814
Abstract: Abstract Motivation Finding molecules with desired pharmaceutical properties is crucial in drug discovery. Generative models can be an efficient tool to find desired molecules through the distribution learned by the model to approximate given training… read more here.
Keywords: autoencoder transformer; molecule; molecule generator; variational autoencoder ... See more keywords