Limitations of representation learning in small molecule property prediction
- Resource Type
- article
- Authors
- Ana Laura Dias; Latimah Bustillo; Tiago Rodrigues
- Source
- Nature Communications, Vol 14, Iss 1, Pp 1-2 (2023)
- Subject
- Science
- Language
- English
- ISSN
- 2041-1723
Representation learning is making inroads into drug discovery. A study in Nature Communications 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.