A dataset containing pIC50 values for compounds acting as carbonic anhydrase inhibitors. The data was published on Kaggle, but the author, organization, and collection date are unknown. The specific number of compounds, features, and data source are not provided in the available metadata.
Use Cases
- Train a regression model to predict pIC50 from molecular descriptors (inferred from domain, verify after download)
- Perform virtual screening to identify novel carbonic anhydrase inhibitor candidates (inferred from domain, verify after download)
- Analyze structure-activity relationships (SAR) within a series of related compounds (inferred from domain, verify after download)
Strengths
- Published on Kaggle, a platform for sharing data science resources.
Limitations
- Metadata is minimal; actual content requires verification after download.
- Column-level documentation is absent; field semantics must be inferred after download.
- Row count, data source, and license are unknown, which may limit suitability assessment.