3 citations · 3 across the 2 of their papers we have counts for
2 papers
cs.LG2024
Beyond Major Product Prediction: Reproducing Reaction Mechanisms with Machine Learning Models Trained on a Large-Scale Mechanistic Dataset
Joonyoung F. Joung, Mun Hong Fong, Jihye Roh +3
Mechanistic understanding of organic reactions can facilitate reaction development, impurity prediction, and in principle, reaction discovery. While several machine learning models…
cs.CL2023★ 3 cited
RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing
Yujie Qian, Jiang Guo, Zhengkai Tu +2
Reaction diagram parsing is the task of extracting reaction schemes from a diagram in the chemistry literature. The reaction diagrams can be arbitrarily complex, thus robustly pars…