A multi-feature graph attention network with adaptive focal loss reaches AUROC 0.9294 and F1 0.4632 on multi-label odor prediction from molecular structure.
Machine learning models to predict sweetness of molecules,
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Molecular Odor Prediction Based on Multi-Feature Graph Attention Networks
A multi-feature graph attention network with adaptive focal loss reaches AUROC 0.9294 and F1 0.4632 on multi-label odor prediction from molecular structure.