# Multi-objective Drug Discovery on BRD4\_HUMAN

Source: [Multi-objective Drug Discovery on BRD4\_HUMAN](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-brd4_human>)

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

Data updated: 2026-05-14T07:35:15.086Z

Evaluation of models performing multi-objective drug discovery on the BRD4\_HUMAN dataset, measured by BA, FA, and HV.

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) | BRD4\_HUMAN |
| Metric | BA |
| 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

- [BA](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-brd4_human.md?metric=BA>): Lower is better; unit: SCALAR.

- [FA](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-brd4_human.md?metric=FA>): Lower is better; unit: SCALAR.

- [HV](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-brd4_human.md?metric=HV>): Higher is better; unit: SCALAR.

## Recorded results

| Method | BA | Result date | Report paper |
| --- | --- | --- | --- |
| PAFlow | 8.33 | Not recorded | 6a05571cdbc836b87d828d12 |
| TAGMol | 9.54 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 9.59 | Not recorded | 6a05571cdbc836b87d828d12 |
| Graph-GA | 9.79 | Not recorded | 6a05571cdbc836b87d828d12 |
| MOLLEO | 9.87 | Not recorded | 6a05571cdbc836b87d828d12 |
| Pocket2Mol | 10.02 | Not recorded | 6a05571cdbc836b87d828d12 |
| ToolMol | 10.64 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 10.8 | Not recorded | 6a05571cdbc836b87d828d12 |

### PAFlow

BA: 8.33. Result ID: 6a057a7c47f34ce924ec1fd7.

[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","Seeded Runs":"3","Tool Usage":"False"}. This record does not assert independent reproduction.

### TAGMol

BA: 9.54. Result ID: 6a057a7c47f34ce924ec1fd6.

[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","Seeded Runs":"3","Tool Usage":"False"}. This record does not assert independent reproduction.

### ShinkaEvolve

BA: 9.59. Result ID: 6a057a7c47f34ce924ec1fd9.

[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","Seeded Runs":"3","Oracle budget":"1000 evaluations","Tool Usage":"False"}. This record does not assert independent reproduction.

### Graph-GA

BA: 9.79. Result ID: 6a057a7c47f34ce924ec1fd8.

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

Recorded evaluation configuration: {"Guidance Strategy":"Affinity feedback","Seeded Runs":"5","Oracle budget":"1000 evaluations","Tool Usage":"False"}. This record does not assert independent reproduction.

### MOLLEO

BA: 9.87. Result ID: 6a057a7c47f34ce924ec1fdb.

[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","Seeded Runs":"5","Oracle budget":"1000 evaluations","Tool Usage":"False"}. This record does not assert independent reproduction.

### Pocket2Mol

BA: 10.02. Result ID: 6a057a7c47f34ce924ec1fd5.

[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","Seeded Runs":"3","Tool Usage":"False"}. This record does not assert independent reproduction.

### ToolMol

BA: 10.64. Result ID: 6a057a7c47f34ce924ec1fdc.

[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","Seeded Runs":"5","Oracle budget":"1000 evaluations","Tool Usage":"True"}. This record does not assert independent reproduction.

### ShinkaEvolve

BA: 10.8. Result ID: 6a057a7c47f34ce924ec1fda.

[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","Seeded Runs":"3","Oracle budget":"1000 evaluations","Tool Usage":"True"}. This record does not assert independent reproduction.

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