# Multi-objective Drug Discovery on ACAA1 THIK\_HUMAN

Source: [Multi-objective Drug Discovery on ACAA1 THIK\_HUMAN](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-acaa1-thik_human>)

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

Data updated: 2026-05-14T07:35:15.130Z

Evaluation of models performing Multi-objective Drug Discovery on the ACAA1 THIK\_HUMAN dataset, reporting metrics such as Binding Affinity (BA), False Alarm Rate (FA), and Hitting Value (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) | ACAA1 THIK\_HUMAN |
| Metric | Binding Affinity |
| 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

- [Binding Affinity](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-acaa1-thik_human.md?metric=Binding%20Affinity>): Lower is better; unit: SCALAR.

- [False Alarm Rate](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-acaa1-thik_human.md?metric=False%20Alarm%20Rate>): Lower is better; unit: SCALAR.

- [Hitting Value](<https://www.sota2.com/research/sota/multi-objective-drug-discovery-on-acaa1-thik_human.md?metric=Hitting%20Value>): Higher is better; unit: PERCENT.

## Recorded results

| Method | Binding Affinity | Result date | Report paper |
| --- | --- | --- | --- |
| PAFlow | 7.9 | Not recorded | 6a05571cdbc836b87d828d12 |
| MOLLEO | 8.41 | Not recorded | 6a05571cdbc836b87d828d12 |
| Pocket2Mol | 8.45 | Not recorded | 6a05571cdbc836b87d828d12 |
| TAGMol | 8.58 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 8.78 | Not recorded | 6a05571cdbc836b87d828d12 |
| Graph-GA | 8.81 | Not recorded | 6a05571cdbc836b87d828d12 |
| ToolMol | 9.7 | Not recorded | 6a05571cdbc836b87d828d12 |
| ShinkaEvolve | 10.2 | Not recorded | 6a05571cdbc836b87d828d12 |

### PAFlow

Binding Affinity: 7.9. Result ID: 6a057a7c47f34ce924ec1fdf.

[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.

### MOLLEO

Binding Affinity: 8.41. Result ID: 6a057a7c47f34ce924ec1fe3.

[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

Binding Affinity: 8.45. Result ID: 6a057a7c47f34ce924ec1fdd.

[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.

### TAGMol

Binding Affinity: 8.58. Result ID: 6a057a7c47f34ce924ec1fde.

[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

Binding Affinity: 8.78. Result ID: 6a057a7c47f34ce924ec1fe1.

[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

Binding Affinity: 8.81. Result ID: 6a057a7c47f34ce924ec1fe0.

[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.

### ToolMol

Binding Affinity: 9.7. Result ID: 6a057a7c47f34ce924ec1fe4.

[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

Binding Affinity: 10.2. Result ID: 6a057a7c47f34ce924ec1fe2.

[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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