DEHV Model Results: Bat NPC1 Binding Strength Predictions

Model results for predicting DEHV binding strength to bat NPC1 protein. The dataset includes evaluation metrics for 500 parameter combinations, results from 100 bootstrap iterations, and SHAP values for variable importance. Author Adrian Castellanos published the 58.7 MB collection of CSV files on figshare in May 2026 under a CC-BY-4.0 license.

Use Cases

• Compare model performance based on evaluation metrics for 500 parameter combinations.
• Assess model stability and uncertainty using results from 100 bootstrap iterations.
• Interpret model predictions and feature importance using the provided SHAP values.
• Validate a chosen parameter set against the provided bootstrap evaluation metrics.

Strengths

• Includes results for 500 distinct parameter combinations, allowing for performance comparison.
• Model robustness is assessed through 100 bootstrap iterations for the chosen parameter set.
• Provides SHAP values for 100 iterations to aid in model interpretability.
• Published under a permissive CC-BY-4.0 license for reuse.

Limitations

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

Provenance

Source

figshare

Collection Method

Results from a computational model evaluating protein-ligand binding.

Freshness

Last updated 2026-05-20 13:33:20; freshness should be verified.