SynthArenav0.4.1
Navigation
  • Home
  • Stocks
  • Benchmarks
  • Runs
  • Leaderboard
  • Algorithms
Menus
    • How It Works
    • Benchmarks
    • Metrics
  • Why This Exists?
  • Changelog
  • Roadmap
  • Submit Results

From isChemist

Essays and software that make better scientific questions possible.

NewsletterStatus
  1. Home
  3. Runs
  5. Retro* (High) on uspto-190
Target 114 of 190

Retro* (High)onuspto-190

Part of the Retro* algorithm family
Verified
139
Routes Found
111.6 min
Total Duration
$0.33
Cost
Dec 2, 2025
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
SolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000
73.2%10.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%

n = 190 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
294.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%44.4%18
379.2%12.5%12.5%12.5%12.5%12.5%12.5%12.5%12.5%12.5%12.5%12.5%12.5%24
473.1%15.4%15.4%15.4%15.4%15.4%15.4%15.4%15.4%15.4%15.4%15.4%15.4%26
569.2%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%26
673.1%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%3.8%26
761.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%11.1%18
869.2%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
966.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%9
1069.2%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
1175.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%12
1275.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%4
140.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%1

Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).

USPTO-114/190

7 stepsLinearHas Acceptable Routes

SMILES

OC1CCCc2sc(-c3ccncc3)cc2C1c1ccc(Cl)cc1

InChiKey

IDECGFYHPDNICJ-UHFFFAOYSA-N

Acceptable route match found at rank 1
Prediction Route
Rank 1 • Length: 7 steps • Linear
View:
Acceptable MatchStock-Terminated
smiles
OC1CCCc2sc(-c3ccncc3)cc2C1c1ccc(Cl)cc1
inchikey
IDECGFYHPDNICJ-UHFFFAOYSA-N
smiles
OC1CCCc2sc(-c3ccncc3)cc2C1(O)c1ccc(Cl)cc1
inchikey
RXVHUYNYGWOMSW-UHFFFAOYSA-N
smiles
CC(C)(C)O
inchikey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
buyable information
vendoremolecules
price$1.0/g
vendor page
in stock
smiles
Clc1ccc(C2=CCCCc3sc(-c4ccncc4)cc32)cc1
inchikey
HRLNMLDVAUZWGX-UHFFFAOYSA-N
smiles
OC1(c2ccc(Cl)cc2)CCCCc2sc(-c3ccncc3)cc21
inchikey
JHDJPIZUGCCUMC-UHFFFAOYSA-N
smiles
C1CCOC1
inchikey
WYURNTSHIVDZCO-UHFFFAOYSA-N
buyable information
vendorsigma aldrich
price$10.0/g
vendor page
in stock
smiles
CCOCC
inchikey
RTZKZFJDLAIYFH-UHFFFAOYSA-N
buyable information
vendorsigma aldrich
price$1.0/g
vendor page
in stock
smiles
O=C1CCCCc2sc(-c3ccncc3)cc21
inchikey
GTDAABRRCXCHCL-UHFFFAOYSA-N
smiles
O=C1CCCCc2sc(Br)cc21
inchikey
ICCYCKXPHKRPEA-UHFFFAOYSA-N
smiles
BrBr
inchikey
GDTBXPJZTBHREO-UHFFFAOYSA-N
buyable information
vendorlabnetwork
price$19.0/g
in stock
smiles
O=C1CCCCc2sccc21
inchikey
VJXXPASWWIYOEK-UHFFFAOYSA-N
smiles
O=C(O)CCCCc1cccs1
inchikey
OQFTZRHAQGXEQU-UHFFFAOYSA-N
buyable information
vendormcule
price$9.8/g
lead time7-21days
vendor page
in stock
smiles
OB(O)c1ccncc1
inchikey
QLULGIRFKAWHOJ-UHFFFAOYSA-N
buyable information
vendormcule
price$1.5/g
lead time7-21days
vendor page
in stock
smiles
[Cl-]
inchikey
VEXZGXHMUGYJMC-UHFFFAOYSA-M
buyable information
vendorsigma aldrich
price$75.0/g
vendor page
in stock
smiles
O
inchikey
XLYOFNOQVPJJNP-UHFFFAOYSA-N
buyable information
vendorsigma aldrich
price$76.0/g
vendor page
in stock
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
legend:in stockavailable molecule