Conditional $\beta$-VAE for De Novo Molecular Generation

Deep learning has significantly advanced and accelerated de novo molecular generation. Generative networks, namely Variational Autoencoders (VAEs) can not only randomly generate new molecules, but also alter molecular structures to optimize specific chemical properties which are pivotal for drug-dis...

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Bibliographische Detailangaben

Hauptverfasser:	Richards, Ryan J, Groener, Austen M
Format:	Artikel
Sprache:	eng
Schlagworte:	Computer Science - Learning Quantitative Biology - Biomolecules Quantitative Biology - Molecular Networks
Online-Zugang:	Volltext bestellen
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