# Molecular Generation on BRD4 (top 15 molecules)

Source: [Molecular Generation on BRD4 (top 15 molecules)](<https://www.sota2.com/research/sota/molecular-generation-on-brd4-top-15-molecules>)

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

Data updated: 2026-05-14T07:35:15.005Z

Evaluation of molecular generation models on the top 15 molecules subset of the BRD4 dataset, assessed using metrics like ABFE, QED, and SA.

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 | Molecular Generation |
| Dataset (including any stated split) | BRD4 (top 15 molecules) |
| Metric | ABFE |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 3 of 3 |
| 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

- [ABFE](<https://www.sota2.com/research/sota/molecular-generation-on-brd4-top-15-molecules.md?metric=ABFE>): Lower is better; unit: SCALAR.

- [QED](<https://www.sota2.com/research/sota/molecular-generation-on-brd4-top-15-molecules.md?metric=QED>): Higher is better; unit: PERCENT.

- [SA](<https://www.sota2.com/research/sota/molecular-generation-on-brd4-top-15-molecules.md?metric=SA>): Lower is better; unit: SCALAR.

## Recorded results

| Method | ABFE | Result date | Report paper |
| --- | --- | --- | --- |
| MF-LAL | 6.2 | Not recorded | 6a05571cdbc836b87d828d12 |
| ToolMol | 6.4 | Not recorded | 6a05571cdbc836b87d828d12 |
| ToolMol | 8.4 | Not recorded | 6a05571cdbc836b87d828d12 |

### MF-LAL

ABFE: 6.2. Result ID: 6a057a7c47f34ce924ec1fca.

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

[Method origin paper](<https://www.sota2.com/research/paper/68fa5f801e209131ce9ea6d0.md>)

Recorded evaluation configuration: {"Filtering Protocol":"None"}. This record does not assert independent reproduction.

### ToolMol

ABFE: 6.4. Result ID: 6a057a7c47f34ce924ec1fcc.

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

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

Recorded evaluation configuration: {"Filtering Protocol":"QED \> 0.5, SA \< 3.0 filter"}. This record does not assert independent reproduction.

### ToolMol

ABFE: 8.4. Result ID: 6a057a7c47f34ce924ec1fcb.

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

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

Recorded evaluation configuration: {"Filtering Protocol":"None (ranked solely on binding energy)"}. This record does not assert independent reproduction.

Page 1 of 1. This is an index page, not the full collection.