AiZynthFinder Retro* (High) on mkt-lin-500-single-gt | SynthArena by isChemist Group

AiZynthFinder Retro* (High)onmkt-lin-500-single-gt

Part of the AiZynthFinder algorithm family

Verified

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
99.0%	1.2%	2.6%	4.0%	4.8%	5.0%	7.2%	8.8%	9.8%	9.8%	9.8%	9.8%	9.8%

n = 500 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%	5.0%	12.0%	17.0%	20.0%	21.0%	29.0%	34.0%	38.0%	38.0%	38.0%	38.0%	38.0%	100
3	99.0%	1.0%	1.0%	3.0%	4.0%	4.0%	7.0%	10.0%	10.0%	10.0%	10.0%	10.0%	10.0%	100
4	100.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	100
5	99.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	100
6	97.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	0.0%	1.0%	1.0%	1.0%	1.0%	1.0%	100

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

Target 1 of 500

Only with predictions

n5-00022

6 stepsLinearHas Acceptable Routes

SMILES

COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C

InChiKey

HMTKDIMDUAJTBJ-UHFFFAOYSA-N

Prediction Route

Rank 1 • Length: 0 steps • Linear

View:

Unsolved

Acceptable Route:

Prediction:

Acceptable Route 1

Not in Stock

In Stock

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In Stock

Prediction

Not in Stock

Legend:

Match

Extension