High-accuracy physical property prediction for pure organics via molecular representation learning: bridging data to discovery
Abstract The escalating energy crisis has spurred extensive research into organic compounds for energy-efficient applications, taking advantage of their environmental friendliness, cost-effective synthesis, and adaptable molecular structures. Traditional trial-and-error methods for discovering highl...
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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: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01720-4 |
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