Molecular Docking Analyses and Binding Affinity Data

A 5.5 KB Excel file containing molecular docking analyses and binding affinity results. The dataset was authored by Jing Wu and is available under a CC-BY-4.0 license. It was last updated on April 10, 2026.

Use Cases

• Predicting protein-ligand interaction strength based on binding affinity scores.
• Evaluating docking pose quality based on the docking analyses.
• Screening virtual compound libraries based on docking scores.
• Training or validating machine learning models for binding energy prediction based on the docking results.

Strengths

• File size is 5.5 KB, indicating a focused and manageable dataset.
• License is CC-BY-4.0, permitting broad reuse and modification.
• Last update date is explicitly recorded as 2026-04-10.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

figshare

Collection Method

Likely contains results from computational molecular docking simulations.

Time Range

null

Freshness

Last updated 2026-04-10 17:39:41; freshness should be verified.

Geography

null