SynthArenav0.5.0
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From isChemist

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  5. SynPlanner MCTS Rollout on ref-cnv-400
Target 1 of 400

SynPlanner MCTS Rolloutonref-cnv-400

Part of the SynPlanner algorithm family
Community
6,328
Routes Found
113.6 min
Total Duration
$0.34
Cost
Aug 4, 2026
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
Tier-0 validSolv-0[n5-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100
46.5%46.3%3.8%5.0%5.3%5.5%5.5%5.5%5.8%

n = 400 targets

Metrics by Benchmark Stratum
Target-level performance using RetroCast's exact reported strata.
StratumTier-0 validSolv-0[n5-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100n
depth 260.0%60.0%11.0%15.0%15.0%16.0%16.0%16.0%17.0%100
depth 345.0%44.0%3.0%3.0%3.0%3.0%3.0%3.0%3.0%100
depth 443.0%43.0%1.0%2.0%3.0%3.0%3.0%3.0%3.0%100
depth 538.0%38.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%100

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: 4 steps • Convergent
View:
Tier-0 validSolv-0[n5-stock] pass
/ 58
smiles
OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1
inchikey
QRPLRPXUJNDKKA-UHFFFAOYSA-N
smiles
OC(COc1cccc(I)c1)CN1CCc2ccccc2C1
inchikey
CCYGCGGNGAXSGM-UHFFFAOYSA-N
smiles
c1ccc2c(c1)CCNC2
inchikey
UWYZHKAOTLEWKK-UHFFFAOYSA-N
in stock
smiles
Ic1cccc(OCC2CO2)c1
inchikey
VIPJDVWBJSFNLV-UHFFFAOYSA-N
smiles
Oc1cccc(I)c1
inchikey
FXTKWBZFNQHAAO-UHFFFAOYSA-N
in stock
smiles
BrCC1CO1
inchikey
GKIPXFAANLTWBM-UHFFFAOYSA-N
in stock
smiles
CC1(C)OB(c2ccc3ncn(Cc4ccccc4)c3c2)OC1(C)C
inchikey
WUNKQWMMHBNQBN-UHFFFAOYSA-N
smiles
CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
inchikey
IPWKHHSGDUIRAH-UHFFFAOYSA-N
in stock
smiles
Brc1ccc2ncn(Cc3ccccc3)c2c1
inchikey
KHRQWUPQXHUGAJ-UHFFFAOYSA-N
smiles
O=CO
inchikey
BDAGIHXWWSANSR-UHFFFAOYSA-N
in stock
smiles
Nc1ccc(Br)cc1NCc1ccccc1
inchikey
NWQTUDBTUDGCAJ-UHFFFAOYSA-N
smiles
O=Cc1ccccc1
inchikey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
in stock
smiles
Nc1ccc(Br)cc1N
inchikey
WIHHVKUARKTSBU-UHFFFAOYSA-N
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