Improving Chemical Reaction Prediction with Unlabeled Data
Predicting products of organic chemical reactions is useful in chemical sciences, especially when one or more reactants are new organics. However, the performance of traditional learning models heavily relies on high-quality labeled data. In this work, to utilize unlabeled data for better prediction...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2022-09-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/27/18/5967 |