Molecular Embedding Data for Protein-Ligand Docking Algorithm Selection

Supplementary material 1 for a study on molecular embedding-based algorithm selection in protein-ligand docking. The 1.2 MB CSV file, published under CC-BY-4.0 by Jiabao Brad Wang on figshare, was last updated on 2026-04-23. Its specific contents likely relate to molecular representations or docking performance metrics.

Use Cases

• Benchmarking docking algorithm performance using molecular embeddings (inferred from domain, verify after download)
• Training a model to predict optimal docking algorithms for given molecular structures (inferred from domain, verify after download)
• Analyzing relationships between molecular features and docking success rates (inferred from domain, verify after download)

Strengths

• Published under the permissive CC-BY-4.0 license.
• File size is a manageable 1.2 MB, facilitating quick download and inspection.
• Last update timestamp is precisely recorded as 2026-04-23 04:42:08.

Limitations

• Metadata is minimal; actual content requires verification after download.
• Row count and column definitions are unknown, limiting suitability assessment.
• Description is limited to 'Supplementary material 1', offering no detail on data generation or scope.

Provenance

Source

figshare

Collection Method

Likely generated as supplementary data for a computational biology study.

Time Range

Publication date is 2026-04-23; temporal coverage of the underlying data is unknown.

Freshness

Last updated 2026-04-23 04:42:08.

Geography

Spatial coverage is unknown.