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...
| 發表在: | Nature Communications |
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| Main Authors: | , , |
| 格式: | Article |
| 語言: | 英语 |
| 出版: |
Nature Portfolio
2023-10-01
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| 在線閱讀: | https://doi.org/10.1038/s41467-023-41967-3 |