# Multi-objective Drug Discovery on Aggregate c-MET, BRD4, ACAA1

Source: [Multi-objective Drug Discovery on Aggregate c-MET, BRD4, ACAA1](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-aggregate-c-met-brd4-acaa1>)

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

Data updated: 2026-05-14T07:35:15.163Z

Evaluation of models performing multi-objective drug discovery across an aggregate dataset combining results from c-MET, BRD4, and ACAA1 targets, measured by Avg. Rank.

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 | Multi-objective Drug Discovery |
| Dataset (including any stated split) | Aggregate c-MET, BRD4, ACAA1 |
| Metric | Average Rank |
| Unit | SCALAR |
| Direction | Lower 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

- [Average Rank](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-aggregate-c-met-brd4-acaa1.md?metric=Average%20Rank>): Lower is better; unit: SCALAR.

## Recorded results

| Method | Average Rank | Result date | Report paper |
| --- | --- | --- | --- |
| ToolMol | 1.56 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 2.56 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 3.89 | Not recorded | 6a05571cdbc836b87d828d12 |
| MOLLEO | 3.89 | Not recorded | 6a05571cdbc836b87d828d12 |
| Pocket2Mol | 5 | Not recorded | 6a05571cdbc836b87d828d12 |
| Graph-GA | 5 | Not recorded | 6a05571cdbc836b87d828d12 |
| TAGMol | 6.11 | Not recorded | 6a05571cdbc836b87d828d12 |
| PAFlow | 7.56 | Not recorded | 6a05571cdbc836b87d828d12 |

### ToolMol

Average Rank: 1.56. Result ID: 6a057a7c47f34ce924ec1fec.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Tool Usage":"True"}. This record does not assert independent reproduction.

### ShinkaEvolve

Average Rank: 2.56. Result ID: 6a057a7c47f34ce924ec1fea.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa7b851e209131cea88df8.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Tool Usage":"True"}. This record does not assert independent reproduction.

### ShinkaEvolve

Average Rank: 3.89. Result ID: 6a057a7c47f34ce924ec1fe9.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa7b851e209131cea88df8.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Tool Usage":"False"}. This record does not assert independent reproduction.

### MOLLEO

Average Rank: 3.89. Result ID: 6a057a7c47f34ce924ec1feb.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa49911e209131ce938018.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Tool Usage":"False"}. This record does not assert independent reproduction.

### Pocket2Mol

Average Rank: 5. Result ID: 6a057a7c47f34ce924ec1fe5.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f7b1e209131ce9ea31b.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Oracle-free","Tool Usage":"False"}. This record does not assert independent reproduction.

### Graph-GA

Average Rank: 5. Result ID: 6a057a7c47f34ce924ec1fe8.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Tool Usage":"False"}. This record does not assert independent reproduction.

### TAGMol

Average Rank: 6.11. Result ID: 6a057a7c47f34ce924ec1fe6.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f601e209131ce9e9718.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Oracle-free","Tool Usage":"False"}. This record does not assert independent reproduction.

### PAFlow

Average Rank: 7.56. Result ID: 6a057a7c47f34ce924ec1fe7.

[Reporting paper](<https://www.sota2.com/research/paper/6a05571cdbc836b87d828d12.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa7b111e209131cea867f8.md>)

Recorded evaluation configuration: {"Guidance Strategy":"Oracle-free","Tool Usage":"False"}. This record does not assert independent reproduction.

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