Limitations of representation learning in small molecule property prediction.
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- Record sourced from PubMed, PMID 37833279.
- Also identified by DOI 10.1038/s41467-023-41967-3 and PMC identifier 10575963.
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Abstract
Representation learning is making inroads into drug discovery. A study in <i>Nature Communications</i> emphasizes multiple limitations in property prediction. The results suggest that continued research and improvements are required for this specific area that coalesces machine learning and molecular medicine.