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Using GANs with adaptive training data to search for new molecules
The process of drug discovery involves a search over the space of all possible chemical compounds. Generative Adversarial Networks (GANs) provide a valuable tool towards exploring chemical space and optimizing known compounds for a desired functionality. Standard approaches to training GANs, however...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7901067/ https://www.ncbi.nlm.nih.gov/pubmed/33622401 http://dx.doi.org/10.1186/s13321-021-00494-3 |