Predicted Activity of Compounds Within Applicability Domain

Predicted activity values for chemical compounds that fall within a defined applicability domain and activity range. The dataset is a 596.1 KB Excel file authored by Juliana Amorim and shared under a CC-BY-4.0 license. It was last updated on April 29, 2026.

Use Cases

• Validate quantitative structure-activity relationship (QSAR) models based on predicted activity values.
• Filter virtual screening results based on the described applicability domain.
• Benchmark new prediction algorithms against the provided activity range.

Strengths

• File size is precisely 596.1 KB, indicating a manageable download.
• License is clearly defined as CC-BY-4.0, permitting broad reuse with attribution.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment for large-scale modeling.

Provenance

Source

figshare

Freshness

Last updated 2026-04-29 17:42:16; freshness should be verified.