| Benchmark | Routes | Duration | Executed |
|---|---|---|---|
| Benchmark | Routes | Duration | Executed |
|---|---|---|---|
| Benchmark | Top-10 | Routes | Duration | Cost | Executed | Submission |
|---|---|---|---|---|---|---|
| ref-lin-600 | 44.8% [40.8, 48.8] | 17,651 | 185.2 min | $3.98 | 3 months ago |
if you use this model in your work, cite it as
@article{directmultistep,
author = {Shee, Yu and Morgunov, Anton and Li, Haote and Batista, Victor S.},
title = {DirectMultiStep: Direct Route Generation for Multistep Retrosynthesis},
journal = {Journal of Chemical Information and Modeling},
volume = {65},
number = {8},
pages = {3903-3914},
year = {2025},
doi = {10.1021/acs.jcim.4c01982},
note ={PMID: 40197023},
URL = {https://doi.org/10.1021/acs.jcim.4c01982},
eprint = {https://doi.org/10.1021/acs.jcim.4c01982}
}| mkt-lin-500-single-gt | 50.2% [45.8, 54.6] | 14,432 | — | — | 3 months ago |
| mkt-lin-500 | 55.4% [51.0, 59.8] | 14,432 | 121.2 min | $2.61 | 3 months ago |
| ref-lng-84 | 50.0% [39.3, 60.7] | 2,053 | 43.8 min | $0.94 | 3 months ago |
| ref-cnv-400 | 46.8% [41.8, 51.5] | 11,050 | 131.9 min | $2.84 | 3 months ago |
| mkt-cnv-160-single-gt | 44.4% [36.9, 51.9] | 4,226 | — | — | 3 months ago |
| mkt-cnv-160 | 57.5% [50.0, 65.0] | 4,226 | 47.6 min | $1.02 | 3 months ago |
| uspto-190 | 1.1% [0.0, 2.6] | 5,953 | 65.0 min | $1.40 | 3 months ago |