Molecular property prediction in the ultra‐low data regime
Abstract Data scarcity remains a major obstacle to effective machine learning in molecular property prediction and design, affecting diverse domains such as pharmaceuticals, solvents, polymers, and energy carriers. Although multi-task learning (MTL) can leverage correlations among properties to impr...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
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| Series: | Communications Chemistry |
| Online Access: | https://doi.org/10.1038/s42004-025-01592-1 |
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