DMS Explorer XL on mkt-cnv-160-single-gt | SynthArena by isChemist Group

DMS Explorer XL

Benchmark

Total Routes

4226

Executed

December 1st, 2025

Acceptable Routes

Available

Overall Metrics

Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.

Solvability	Top-1	Top-2	Top-3	Top-4	Top-5	Top-10	Top-20	Top-50	Top-100	Top-500	Top-1000	Top-10000
96.3%	21.9%	31.3%	33.8%	38.1%	40.6%	44.4%	46.3%	46.3%	46.3%	46.3%	46.3%	46.3%

n = 160 targets

Metrics by Route Length

Performance breakdown by acceptable route length.

Length	Solvability	Top-1	Top-2	Top-3	Top-4	Top-5	Top-10	Top-20	Top-50	Top-100	Top-500	Top-1000	Top-10000	n
2	100.0%	22.5%	32.5%	37.5%	40.0%	47.5%	55.0%	62.5%	62.5%	62.5%	62.5%	62.5%	62.5%	40
3	100.0%	25.0%	32.5%	37.5%	42.5%	42.5%	47.5%	47.5%	47.5%	47.5%	47.5%	47.5%	47.5%	40
4	92.5%	12.5%	22.5%	22.5%	27.5%	27.5%	27.5%	27.5%	27.5%	27.5%	27.5%	27.5%	27.5%	40
5	92.5%	27.5%	37.5%	37.5%	42.5%	45.0%	47.5%	47.5%	47.5%	47.5%	47.5%	47.5%	47.5%	40

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

Target 1 of 160

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

Unsolved

Solvability evaluated against: ASKCOS Buyables Stock

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Acceptable Route

Single route available

Prediction Rank

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Rank:

Rank 1 of 18

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Hash: f2c5ce210984988d760e5bb4ace65f64836ad19194938e2d65c73bb9a2c0a616