Double-Ended Synthesis Planning with Goal-Constrained Bidirectional Search. - Kevin Yu; Jihye Roh; Ziang Li; Wenhao Gao 001; Runzhong Wang; Connor W. Coley (NeurIPS, 2024)

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; Zhengkai Tu; John Bradshaw; Connor W. Coley (CoRR, 2024)

ASKCOS: an open source software suite for synthesis planning. - Zhengkai Tu; Sourabh J. Choure; Mun Hong Fong; Jihye Roh; Itai Levin; Kevin Yu; Joonyoung F. Joung; Nathan Morgan; Shih-Cheng Li; Xiaoqi Sun; Huiqian Lin; Mark Murnin; et al. (CoRR, 2025)