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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Detalles Bibliográficos
Autores principales: Maziarka, Łukasz, Pocha, Agnieszka, Kaczmarczyk, Jan, Rataj, Krzysztof, Danel, Tomasz, Warchoł, Michał
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2020
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6950853/
https://www.ncbi.nlm.nih.gov/pubmed/33431006
http://dx.doi.org/10.1186/s13321-019-0404-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6950853/
https://www.ncbi.nlm.nih.gov/pubmed/33431006
http://dx.doi.org/10.1186/s13321-019-0404-1

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