Pushing the Boundaries of Molecular Property Prediction for Drug Discovery with Multitask Learning BERT Enhanced by SMILES Enumeration
Accurate prediction of pharmacological properties of small molecules is becoming increasingly important in drug discovery. Traditional feature-engineering approaches heavily rely on handcrafted descriptors and/or fingerprints, which need extensive human expert knowledge. With the rapid progress of a...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Association for the Advancement of Science (AAAS)
2022-01-01
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| Series: | Research |
| Online Access: | https://spj.science.org/doi/10.34133/research.0004 |