AdaptMol, a prototypical network fusing SMILES and graph features with attention, reports state-of-the-art few-shot molecular property prediction on Tox21, SIDER, and MUV benchmarks.
Similarity maps—a visualization strategy for molecular fingerprints and machine-learning methods,
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AdaptMol: Adaptive Fusion from Sequence String to Topological Structure for Few-shot Drug Discovery
AdaptMol, a prototypical network fusing SMILES and graph features with attention, reports state-of-the-art few-shot molecular property prediction on Tox21, SIDER, and MUV benchmarks.