activity
20162019
most citedAutomatic chemical design using a data-driven continuous representation of molecules

3.2k citations · 4.1k across the 5 of their papers we have counts for

collaborators
Showing 2019 · stat.MLShow all

1 paper · 2 filters

stat.ML2019★ 97 cited

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules

Benjamin Sanchez-Lengeling, Jennifer N. Wei, Brian K. Lee +3

Predicting the relationship between a molecule's structure and its odor remains a difficult, decades-old task. This problem, termed quantitative structure-odor relationship (QSOR)…