Domain adaptation of a SMILES chemical transformer to SELFIES with limited computational resources
Abstract Accurate molecular property prediction requires input representations that preserve substructural details and maintain syntactic consistency. SMILES (Simplified Molecular Input Line Entry System), while widely used, does not guarantee validity and allows multiple representations for the sam...
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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: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-05017-w |
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