A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.
Fate-tox: fragment attention transformer for E(3)-equivariant multi-organ toxicity prediction.Journal of Cheminformatics, 17(1):74, May 2025
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A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.