DrugProps Calculate Qed
Calculate Quantitative Estimate of Drug-likeness (QED) score for a compound using the Bickerton et al. (2012) method. QED integrates 8 molecular descriptors (MW, AlogP, HBA, HBD, PSA, rotatable bonds, aromatic rings, structural alerts) into a single score from 0 (non-drug-like) to 1 (most drug-like). Median QED of approved oral drugs is ~0.49. High QED (≥0.67) = drug-like; Medium (0.34–0.67) = borderline; Low (<0.34) = non-drug-like. Use after DrugProps_lipinski_filter for a more nuanced drug-l…
Overview
Calculate Quantitative Estimate of Drug-likeness (QED) score for a compound using the Bickerton et al. (2012) method. QED integrates 8 molecular descriptors (MW, AlogP, HBA, HBD, PSA, rotatable bonds, aromatic rings, structural alerts) into a single score from 0 (non-drug-like) to 1 (most drug-like). Median QED of approved oral drugs is ~0.49. High QED (≥0.67) = drug-like; Medium (0.34–0.67) = borderline; Low (<0.34) = non-drug-like. Use after DrugProps_lipinski_filter for a more nuanced drug-likeness assessment.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default DrugProps Calculate Qed call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_DrugProps_calculate_qed
- Tool name
- DrugProps_calculate_qed
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse