RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction

18 December 2023

Papers citing "RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction"

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 40 1 0 11 Jan 2025
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 139 223 0 09 Dec 2020