Multi-View Molecular Representation Learning with Hierarchical Graphs and Contextualized Fingerprints
Analysis of HiFi-Mol reveals that fragment-aware masking improves graph representation quality, and classification results demonstrate dataset-dependent strengths of the individual graph and fingerprint variants, confirming that the two views provide complementary predictive signals.
Gwang-Hyeon Yun, Jong-Hoon Park, Bing Hu et al.
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