11 citations · 14 across the 3 of their papers we have counts for
3 papers
cs.AI2025★ 11 cited
ASKCOS: an open source software suite for synthesis planning
Zhengkai Tu, Sourabh J. Choure, Mun Hong Fong +16
The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planni…
cs.AI2024★ 3 cited
Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search
Kevin Yu, Jihye Roh, Ziang Li +3
Computer-aided synthesis planning (CASP) algorithms have demonstrated expert-level abilities in planning retrosynthetic routes to molecules of low to moderate complexity. However,…
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…