Fig. 5: Top-3 predictions by RSGPT for random products derived from the USPTO-50k60 test set. | Nature Communications

Fig. 5: Top-3 predictions by RSGPT for random products derived from the USPTO-50k60 test set.

From: RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints

Fig. 5

a Suzuki coupling; b Williamson ether synthesis; c Nucleophilic substitution; d Reduction; e Deprotection. The blue background in the diagram represents the product structure, while the yellow background corresponds to the reactant structure serving as the ground truth. The green background illustrates the top-three predicted results generated by RSGPT. Output structures consistent with the ground truth are marked in red.

Back to article page