11 citations · 12 across the 2 of their papers we have counts for
2 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…
physics.chem-ph2024★ 1 cited
Pooling Solvent Mixtures for Solvation Free Energy Predictions
Roel J. Leenhouts, Nathan Morgan, Emad Al Ibrahim +2
Solvation free energy is an important design parameter in reaction kinetics and separation processes, making it a critical property to predict during process development. In previo…