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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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| 發表在: | J Cheminform |
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| Main Authors: | , , , , , |
| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Springer International Publishing
2020
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| 主題: | |
| 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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