# Reaction condition discovery on C-N Cross-Coupling with Isoxazoles (CNCCI) 2 (full)

Source: [Reaction condition discovery on C-N Cross-Coupling with Isoxazoles (CNCCI) 2 (full)](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-02-26T05:48:00.364Z

Evaluation of models performing reaction condition discovery on the full split of the C-N Cross-Coupling with Isoxazoles (CNCCI) 2 dataset, measured using specialized metrics like L1+B1, L2+B1, etc.

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Reaction condition discovery |
| Dataset (including any stated split) | C-N Cross-Coupling with Isoxazoles (CNCCI) 2 (full) |
| Metric | L1+B1 |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 4 of 4 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [L1+B1](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L1%2BB1>): Lower is better; unit: SCALAR.

- [L2+B1](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L2%2BB1>): Lower is better; unit: SCALAR.

- [L3+B1](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L3%2BB1>): Lower is better; unit: SCALAR.

- [L4+B1](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L4%2BB1>): Lower is better; unit: SCALAR.

- [L1+B2](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L1%2BB2>): Lower is better; unit: SCALAR.

- [L4+B2](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L4%2BB2>): Lower is better; unit: SCALAR.

- [L1+B3](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L1%2BB3>): Lower is better; unit: SCALAR.

- [L3+B3](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L3%2BB3>): Lower is better; unit: SCALAR.

- [L4+B3](<https://www.sota2.com/research/sota/reaction-condition-discovery-on-c-n-cross-coupling-with-isoxazoles-cncci-2-full.md?metric=L4%2BB3>): Lower is better; unit: SCALAR.

## Recorded results

| Method | L1+B1 | Result date | Report paper |
| --- | --- | --- | --- |
| TS | 11.84 | Not recorded | 68fa6e461e209131cea3ee54 |
| UCB | 13.63 | Not recorded | 68fa6e461e209131cea3ee54 |
| IDS | 15.55 | Not recorded | 68fa6e461e209131cea3ee54 |
| Random | 25.65 | Not recorded | 68fa6e461e209131cea3ee54 |

### TS

L1+B1: 11.84. Result ID: 69900b453a6c314849fdb695.

[Reporting paper](<https://www.sota2.com/research/paper/68fa6e461e209131cea3ee54.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa67f11e209131cea1946e.md>)

Recorded evaluation configuration: {"evaluation\_protocol":"Cumulative Regret at 20% steps","number\_of\_runs":10}. This record does not assert independent reproduction.

### UCB

L1+B1: 13.63. Result ID: 69900b453a6c314849fdb696.

[Reporting paper](<https://www.sota2.com/research/paper/68fa6e461e209131cea3ee54.md>)

Recorded evaluation configuration: {"evaluation\_protocol":"Cumulative Regret at 20% steps","number\_of\_runs":10,"is\_deterministic":true}. This record does not assert independent reproduction.

### IDS

L1+B1: 15.55. Result ID: 69900b453a6c314849fdb694.

[Reporting paper](<https://www.sota2.com/research/paper/68fa6e461e209131cea3ee54.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6e461e209131cea3ee54.md>)

Recorded evaluation configuration: {"evaluation\_protocol":"Cumulative Regret at 20% steps","number\_of\_runs":10}. This record does not assert independent reproduction.

### Random

L1+B1: 25.65. Result ID: 69900b453a6c314849fdb693.

[Reporting paper](<https://www.sota2.com/research/paper/68fa6e461e209131cea3ee54.md>)

Recorded evaluation configuration: {"evaluation\_protocol":"Cumulative Regret at 20% steps","number\_of\_runs":10}. This record does not assert independent reproduction.

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