# Retrosynthesis on Chemical Reaction-related Tasks (test)

Source: [Retrosynthesis on Chemical Reaction-related Tasks (test)](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test>)

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

Data updated: 2026-02-26T05:42:26.067Z

Evaluation of models performing retrosynthesis prediction on the test split of the Chemical Reaction-related Tasks dataset, measured using metrics including exact match, string similarity (BLEU, Levenshtein), and chemical fingerprint similarity (RDK, MACCS, Morgan FTS).

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 | Retrosynthesis |
| Dataset (including any stated split) | Chemical Reaction-related Tasks (test) |
| Metric | Exact Match |
| Unit | PERCENT |
| Direction | Higher is better |
| Results loaded | 8 of 8 |
| 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

- [Exact Match](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=Exact%20Match>): Higher is better; unit: PERCENT.

- [BLEU](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=BLEU>): Higher is better; unit: PERCENT.

- [Levenshtein Distance](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=Levenshtein%20Distance>): Lower is better; unit: SCALAR.

- [RDK FTS](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=RDK%20FTS>): Higher is better; unit: PERCENT.

- [MACCS FTS](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=MACCS%20FTS>): Higher is better; unit: PERCENT.

- [MORGAN FTS](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=MORGAN%20FTS>): Higher is better; unit: PERCENT.

- [Validity](<https://www.sota2.com/research/sota/retrosynthesis-on-chemical-reaction-related-tasks-test.md?metric=Validity>): Higher is better; unit: PERCENT.

## Recorded results

| Method | Exact Match | Result date | Report paper |
| --- | --- | --- | --- |
| BioT5+ | 64.2 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| InstructMol-GS-6.9B | 40.7 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| Text+Chem T5-223M | 14.1 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| InstructMol-G-6.9B | 11.4 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| Mol-Instructions-7B | 0.9 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| Llama-7B | 0 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| Galactica-6.7B | 0 | Not recorded | 68fa5f5b1e209131ce9e9311 |
| Llama-7B\*(LORA) | 0 | Not recorded | 68fa5f5b1e209131ce9e9311 |

### BioT5+

Exact Match: 64.2. Result ID: 698bc4817a967eddb771355b.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Implementation](<https://github.com/QizhiPei/BioT5>)

Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction.

### InstructMol-GS-6.9B

Exact Match: 40.7. Result ID: 698bc4817a967eddb771355a.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f6a1e209131ce9e9a28.md>)

[Implementation](<https://github.com/IDEA-XL/InstructMol>)

Recorded evaluation configuration: {"Backbone":"Vicuna","Parameter count":"6.9B"}. This record does not assert independent reproduction.

### Text+Chem T5-223M

Exact Match: 14.1. Result ID: 698bc4817a967eddb7713556.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6f711e209131cea459c6.md>)

[Implementation](<https://github.com/GT4SD/multitask_text_and_chemistry_t5>)

Recorded evaluation configuration: {"Backbone":"T5","Parameter count":"223M"}. This record does not assert independent reproduction.

### InstructMol-G-6.9B

Exact Match: 11.4. Result ID: 698bc4817a967eddb7713559.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f6a1e209131ce9e9a28.md>)

[Implementation](<https://github.com/IDEA-XL/InstructMol>)

Recorded evaluation configuration: {"Backbone":"Vicuna","Parameter count":"6.9B"}. This record does not assert independent reproduction.

### Mol-Instructions-7B

Exact Match: 0.9. Result ID: 698bc4817a967eddb7713557.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f5d1e209131ce9e955c.md>)

Recorded evaluation configuration: {"Backbone":"Llama-7B","Parameter count":"7B","Multi-task instruction tuning":true}. This record does not assert independent reproduction.

### Llama-7B

Exact Match: 0. Result ID: 698bc4817a967eddb7713554.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6eae1e209131cea41685.md>)

[Implementation](<https://github.com/facebookresearch/llama>)

Recorded evaluation configuration: {"Backbone":"Llama","Parameter count":"7B","Zero-shot":true}. This record does not assert independent reproduction.

### Galactica-6.7B

Exact Match: 0. Result ID: 698bc4817a967eddb7713555.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6dff1e209131cea3d479.md>)

[Implementation](<https://www.sota2.com/galactica.org>)

Recorded evaluation configuration: {"Backbone":"Galactica","Parameter count":"6.7B","Zero-shot":true}. This record does not assert independent reproduction.

### Llama-7B\*(LORA)

Exact Match: 0. Result ID: 698bc4817a967eddb7713558.

[Reporting paper](<https://www.sota2.com/research/paper/68fa5f5b1e209131ce9e9311.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa6eae1e209131cea41685.md>)

[Implementation](<https://github.com/facebookresearch/llama>)

Recorded evaluation configuration: {"Backbone":"Llama","Parameter count":"7B","LoRA tuning":true}. This record does not assert independent reproduction.

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