Are we making much progress? Revisiting chemical reaction yield prediction from an imbalanced regression perspective

no code implementations • 6 Feb 2024 • Yihong Ma, Xiaobao Huang, Bozhao Nan, Nuno Moniz, Xiangliang Zhang, Olaf Wiest, Nitesh V. Chawla

The yield of a chemical reaction quantifies the percentage of the target product formed in relation to the reactants consumed during the chemical reaction.