Datasets › USPTO-190
USPTO-190
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.
Benchmarks archive 2025-07-28
All 1 leaderboard whose dataset resolves to this page shown (sort by any header). "First row" is the archive's own first row at snapshot, in the archive's row order; nothing here re-ranks and metric direction is not asserted.
| First row (archive order) | Paper | Code | ||||
|---|---|---|---|---|---|---|
| Multi-step retrosynthesis | USPTO-190 | PDVN Success Rate (100 model calls) 96.84 | Retrosynthetic Planning with Dual Value Networks | DiXue98/PDVN | 5 | Compare |
Papers archive 2025-07-28
5 shown of 5 papers with a leaderboard row on this dataset's benchmarks, newest first. The archive's own "papers using this dataset" list was never published, so this is the benchmark-backed subset; the archive's count for this dataset is 7. The Syntology column is from Syntology's graph (read 2026-09-24), stated per sample; it is not part of any archive number.
| Date | Samples run Syntology | |||
|---|---|---|---|---|
| Retrosynthetic Planning with Dual Value Networks | 1 | 1 | 31 Jan 2023 | ran 4 of 8 samples (4 unverified; 8 pointer-only for licence) |
| RetroGraph: Retrosynthetic Planning with Graph Search | 1 | 1 | 23 Jun 2022 | not harvested |
| Retrosynthetic Planning with Experience-Guided Monte Carlo Tree Search | 1 | 1 | 11 Dec 2021 | ran 0 of 4 samples (4 unverified) |
| Self-Improved Retrosynthetic Planning | 1 | 1 | 9 Jun 2021 | ran 3 of 5 samples (2 unverified) |
| Retro*: Learning Retrosynthetic Planning with Neural Guided A* Search | 1 | 1 | 29 Jun 2020 | ran 0 of 1 samples (1 unverified) |
Dataset loaders archive 2025-07-28
No loader listed in the archive.
Tasks archive 2025-07-28
License archive 2025-07-28
No licence recorded in the archive. Absence here is not a statement about the dataset's terms.
Modalities archive 2025-07-28
No modality tagged.
Languages archive 2025-07-28
No language tagged.
Variants archive 2025-07-28
- USPTO-190
1 variant name, as the archive lists them.
Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections