How does our knowledge of smells work? According to this work with machine learning, graphs. "Since molecules are analogous to graphs, with atoms forming the vertices and bonds forming the edges, Graph Neural Networks (GNNs) are the natural model of choice for their understanding.... (a) single vector, representing the entire molecule, can then be passed into a fully connected network as a learned molecular featurization. This network outputs a prediction for odor descriptors, as provided by perfume experts."
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