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De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
Finding new molecules with a desired biological activity is an extremely difficult task. In this context, artificial intelligence and generative models have been used for molecular de novo design and compound optimization. Herein, we report a generative model that bridges systems biology and molecul...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6941972/ https://www.ncbi.nlm.nih.gov/pubmed/31900408 http://dx.doi.org/10.1038/s41467-019-13807-w |