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
  2. Runs
  3. SynPlanner MCTS Rollout on mkt-cnv-160
Target 1 of 160

SynPlanner MCTS Rolloutonmkt-cnv-160

Part of the SynPlanner algorithm family
Verified
8,552
Routes Found
38.8 min
Total Duration
$0.12
Cost
Jan 18, 2026
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
62.5%11.3%13.1%15.6%17.5%17.5%18.8%19.4%22.5%22.5%22.5%22.5%22.5%

n = 160 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
265.0%27.5%27.5%35.0%35.0%35.0%35.0%35.0%40.0%40.0%40.0%40.0%40.0%40
362.5%7.5%10.0%12.5%20.0%20.0%20.0%22.5%27.5%27.5%27.5%27.5%27.5%40
460.0%7.5%10.0%10.0%10.0%10.0%10.0%10.0%12.5%12.5%12.5%12.5%12.5%40
562.5%2.5%5.0%5.0%5.0%5.0%10.0%10.0%10.0%10.0%10.0%10.0%10.0%40

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

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 3 steps • Convergent
View:
Stock-Terminated
/ 112
smiles
OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1
inchikey
QRPLRPXUJNDKKA-UHFFFAOYSA-N
smiles
OB(O)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1
inchikey
AXUQYOWBVVXRLV-UHFFFAOYSA-N
smiles
OB(O)c1cccc(OCC2CO2)c1
inchikey
DZIWOKPDXAHMQH-UHFFFAOYSA-N
smiles
Brc1cccc(OCC2CO2)c1
inchikey
MJDGHPATEBXUTI-UHFFFAOYSA-N
buyable information
vendorlabnetwork
price$1.0/g
in stock
smiles
OBO
inchikey
ZADPBFCGQRWHPN-UHFFFAOYSA-N
buyable information
vendoremolecules
price$30.0/g
vendor page
in stock
smiles
c1ccc2c(c1)CCNC2
inchikey
UWYZHKAOTLEWKK-UHFFFAOYSA-N
buyable information
vendormcule
price$0.87/g
lead time7-21days
vendor page
in stock
smiles
Ic1ccc2ncn(Cc3ccccc3)c2c1
inchikey
PBVWZCAPJQQFKF-UHFFFAOYSA-N
smiles
Nc1ccc(I)cc1NCc1ccccc1
inchikey
FGAMAOZUUNZDSS-UHFFFAOYSA-N
smiles
Nc1ccc(I)cc1N
inchikey
FUOSRKZBOIVBOS-UHFFFAOYSA-N
buyable information
vendorlabnetwork
price$6.0/g
in stock
smiles
O=Cc1ccccc1
inchikey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
buyable information
vendorsigma aldrich
price$1.0/g
vendor page
in stock
smiles
O=CO
inchikey
BDAGIHXWWSANSR-UHFFFAOYSA-N
buyable information
vendorsigma aldrich
price$1.0/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