Enhancing Unconditional Molecule Generation via Online Knowledge Distillation of Scaffolds
Generating new drug-like molecules is an essential aspect of drug discovery, and deep learning models significantly accelerate this process. Language models have demonstrated great potential in generating novel and realistic SMILES representations of molecules. Molecular scaffolds, which serve as th...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/6/1262 |
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