GraphNOSE: A Graph Transformer in Olfaction
GraphNOSE is introduced, an open-source graph transformer framework that predicts multi-label odor descriptors from simplified molecular-input line-entry system strings for single molecules and binary mixtures and is established as a scalable and interpretable architecture for olfactory prediction that generalizes to s...
Mrityunjay Sharma, Sarabeshwar Balaji, Valentina Parma et al.
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