There's some work on using ML methods to map from the structure of a molecule to an odor. Interesting to see where it goes, current results aren't that mind blowing:

1. B. Sanchez-Lengeling, J. N. Wei, B. K. Lee, R. C. Gerkin, A. Aspuru-Guzik, A. B. Wiltschko, Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules. arXiv [stat.ML] (2019), (available at http://arxiv.org/abs/1910.10685).

2. J. Kowalewski, B. Huynh, A. Ray, A System-Wide Understanding of the Human Olfactory Percept Chemical Space. Chem. Senses. 46 (2021), doi:10.1093/chemse/bjab007.

3. L. Shang, C. Liu, F. Tang, B. Chen, L. Liu, K. Hayashi, Odorant molecular feature mining by diverse deep neural networks for prediction of odor perception categories. bioRxiv (2022), , doi:10.1101/2022.04.20.488977.