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Mol-CycleGAN: a generative model for molecular optimization

Designing a molecule with desired properties is one of the biggest challenges in drug development, as it requires optimization of chemical compound structures with respect to many complex properties. To improve the compound design process, we introduce Mol-CycleGAN—a CycleGAN-based model that genera...

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書目詳細資料
發表在:J Cheminform
Main Authors: Maziarka, Łukasz, Pocha, Agnieszka, Kaczmarczyk, Jan, Rataj, Krzysztof, Danel, Tomasz, Warchoł, Michał
格式: Artigo
語言:Inglês
出版: Springer International Publishing 2020
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在線閱讀:https://ncbi.nlm.nih.gov/pmc/articles/PMC6950853/
https://ncbi.nlm.nih.gov/pubmed/33431006
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0404-1
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