List of Compounds Filtered by Pharmacophoric Characteristics

812.2 KB of chemical data compiled by Juliana Amorim and last updated in April 2026. This Excel file contains a list of compounds selected based on their pharmacophoric features, which are structural patterns associated with biological activity. The dataset is shared under a permissive CC-BY-4.0 license.

Use Cases

• Screen for potential drug candidates based on pharmacophoric patterns mentioned in the description.
• Train or validate machine learning models for virtual compound screening.
• Benchmark pharmacophore-based filtering algorithms against a defined compound set.

Strengths

• File size of 812.2 KB indicates a focused, manageable dataset for analysis.
• Explicitly licensed under CC-BY-4.0, allowing for broad reuse with attribution.

Limitations

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

Provenance

Source

Juliana Amorim via figshare

Collection Method

Likely generated through computational screening of a chemical library.

Time Range

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Freshness

Last updated 2026-04 29 17:42:14; freshness should be verified.

Geography

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