11 citations · 15 across the 4 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2025★ 1 cited
Interpretable Deep Learning for Polar Mechanistic Reaction Prediction
Ryan J. Miller, Alexander E. Dashuta, Brayden Rudisill +2
Accurately predicting chemical reactions is essential for driving innovation in synthetic chemistry, with broad applications in medicine, manufacturing, and agriculture. At the sam…
cs.LG2023★ 3 cited
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning
Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov +3
Deep learning-based reaction predictors have undergone significant architectural evolution. However, their reliance on reactions from the US Patent Office results in a lack of inte…