USPTO-190
Introduced by Chen et al. in Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search
A chemical synthesis route dataset constructed from the USPTO reaction dataset (1976-Sep2016) and a list of commercially available building blocks from eMolecules (~23.1M molecules). After processing, the dataset has 299202 training routes, 65274 validation routes, 190 test routes, and the corresponding target molecules.
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