Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity
Abstract The structural diversity of chemical libraries, which are systematic collections of compounds that have potential to bind to biomolecules, can be represented by chemical latent space. A chemical latent space is a projection of a compound structure into a mathematical space based on several...
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| Hoofdauteurs: | , , , , , , , , , , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Nature Portfolio
2023-11-01
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| Reeks: | Communications Chemistry |
| Online toegang: | https://doi.org/10.1038/s42004-023-01054-6 |
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