Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models

29 February 2024

Papers citing "Assessing the Extrapolation Capability of Template-Free Retrosynthesis Models"

2 / 2 papers shown

Title
Challenging reaction prediction models to generalize to novel chemistry John Bradshaw Anji Zhang Babak Mahjour David E. Graff Marwin H. S. Segler Connor W. Coley 32 1 0 11 Jan 2025
ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots Ajnabiul Hoque Manajit Das Mayank Baranwal R. B. Sunoj 24 0 0 14 Jul 2024