RETROSPECT reports 55.00% top-1 and 86.18% top-10 accuracy on USPTO-50K with a ChemAlign Transformer plus LambdaMART reranker reaching 59.4% top-1 on candidate pools using proposal scores and template statistics.
arXiv preprint arXiv:2007.13437 , year=
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RETROSPECT: RETROsynthesis via Sequential Prediction, and Chemically Transformed-ranking
RETROSPECT reports 55.00% top-1 and 86.18% top-10 accuracy on USPTO-50K with a ChemAlign Transformer plus LambdaMART reranker reaching 59.4% top-1 on candidate pools using proposal scores and template statistics.