Exploring Fragment Adding Strategies to Enhance Molecule Pretraining in AI-Driven Drug Discovery
The effectiveness of AI-driven drug discovery can be enhanced by pretraining on small molecules. However, the conventional masked language model pretraining techniques are not suitable for molecule pretraining due to the limited vocabulary size and the non-sequential structure of molecules. To overc...
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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Tsinghua University Press
2024-09-01
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| Series: | Big Data Mining and Analytics |
| Subjects: | |
| Online Access: | https://www.sciopen.com/article/10.26599/BDMA.2024.9020003 |
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