Tabular foundation models achieve high accuracy in molecular property prediction through in-context learning, with up to 100% win rates on MoleculeACE tasks when paired with CheMeleon embeddings.
R.et al.Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery.Journal of Chemical Information and Modeling65, 9398–9411 (2025)
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Tabular foundation models for in-context prediction of molecular properties
Tabular foundation models achieve high accuracy in molecular property prediction through in-context learning, with up to 100% win rates on MoleculeACE tasks when paired with CheMeleon embeddings.