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De Novo Design of Bioactive Small Molecules by Artificial Intelligence
Generative artificial intelligence offers a fresh view on molecular design. We present the first‐time prospective application of a deep learning model for designing new druglike compounds with desired activities. For this purpose, we trained a recurrent neural network to capture the constitution of...
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| Publicado no: | Mol Inform |
|---|---|
| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
John Wiley and Sons Inc.
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5838524/ https://ncbi.nlm.nih.gov/pubmed/29319225 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/minf.201700153 |
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