GERD Drug Compound QSAR/QSPR Regression Model Outputs

Regression outputs from quantitative structure–activity/property relationship modeling of Gastroesophageal Reflux Disease drug compounds. The dataset includes model performance metrics like R², F-statistic, and p-values, supporting reproducibility. Author Mythili V published the data on figshare with a CC-BY-4.0 license.

Use Cases

• Evaluating model significance for drug property prediction based on regression statistics like p-values and F-statistic
• Comparing predictive performance of different molecular descriptor sets based on metrics like R² and Adjusted R²
• Reproducing and validating QSAR/QSPR modeling workflows for GERD compounds based on the provided statistical outputs

Strengths

• Includes detailed statistical evaluation metrics such as R², Adjusted R², F-statistic, and p-values
• Integrates multiple molecular descriptor types: Neighbourhood Degree-based topological indices, edge partitioning features, and physicochemical properties
• Published under a permissive CC-BY-4.0 license, facilitating reuse

Limitations

• Row count is unknown, which may limit suitability assessment
• Column-level documentation is absent; field semantics must be inferred after download
• Last updated 2026-04-19 13:50:48; freshness should be verified

Provenance

Source

figshare

Collection Method

Outputs from statistical regression modeling of QSAR/QSPR data.

Freshness

Last updated 2026-04-19 13:50:48.