Plant Compounds with ADME/T Approval in 3D SDF Format

Three-dimensional SDF files of ADME/T approved plant compounds in PDB format. The dataset is 22.1 KB in size and was last updated on June 3, 2026. It was authored by Kasuni Karunarathne and is licensed under CC-BY-4.0.

Use Cases

• Analyze molecular structures based on three-dimensional SDF files
• Perform computational docking studies based on PDB format structures
• Screen for drug-like properties based on ADME/T approval status
• Train machine learning models for molecular property prediction based on 3D chemical data

Strengths

• The dataset is openly licensed under CC-BY-4.0, allowing for broad reuse.
• The 22.1 KB size suggests a focused collection of specific compounds.

Limitations

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

Provenance

Source

Kasuni Karunarathne

Freshness

Last updated 2026-06-03 17:42:01; freshness should be verified.