Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
作者： Daniil Polykovskiy , Alexander Zhebrak , Dmitry Vetrov , Yan Ivanenkov , Vladimir Aladinskiy
DOI: 10.1021/ACS.MOLPHARMACEUT.8B00839
关键词: Computational biology 、 Drug discovery 、 Autoencoder 、 Specific protein 、 Janus kinase 、 Computer science
摘要: … In this article, we propose a new generative architecture, entangled conditional adversarial autoencoder, that generates molecular structures based on various properties, such as …
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