Learning to Smell: Using Deep Learning to Predict the Olfactory Properties of Molecules
Predicting the relationship between a molecules structure and its odor remains a difficult, decades-old task. This problem, termed quantitative structure-odor relationship (QSOR) modeling, is an important challenge in chemistry, impacting human nutrition, manufacture of synthetic fragrance, the environment, and sensory neuroscience. We propose the use of graph neural networks for Read more