Fig. 9: PhotoCat includes features for photocatalytic reaction retrosynthesis (PhotoCat-Retro) and reaction condition recommendation (PhotoCat-Cond).
From: An artificial intelligence-driven synthesis planning platform (PhotoCat) for photocatalysis
a With the help of transfer learning from the ZINC molecular database and the USPTO reaction database, PhotoCat-Retro shows a significant improvement in the accuracy of reaction retrosynthesis. b A Transformer-based model specifically developed for the recommendation of optimal conditions in photocatalytic reactions. c Test results of PhotoCat-Cond.
