Limitations of representation learning in small molecule property prediction
Representation learning is making inroads into drug discovery. A study in Nature Communications emphasizes multiple limitations in property prediction. The results suggest that continued research and improvements are required for this specific area that coalesces machine learning and molecular medic...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Nature Portfolio
2023-10-01
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| Schriftenreihe: | Nature Communications |
| Online-Zugang: | https://doi.org/10.1038/s41467-023-41967-3 |
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