DrugProps Pains Filter
Screen a compound for PAINS (Pan-Assay Interference Compounds), Brenk undesirable substructures, and NIH alerts using RDKit FilterCatalog. PAINS compounds produce false positives in biochemical assays due to non-specific activity mechanisms (rhodanines, quinones, catechols, etc.). Brenk filter flags reactive/toxic groups (Michael acceptors, epoxides, nitroaromatics, etc.). Returns match details and remediation recommendations. Essential quality filter before committing to high-throughput screen…
Overview
Screen a compound for PAINS (Pan-Assay Interference Compounds), Brenk undesirable substructures, and NIH alerts using RDKit FilterCatalog. PAINS compounds produce false positives in biochemical assays due to non-specific activity mechanisms (rhodanines, quinones, catechols, etc.). Brenk filter flags reactive/toxic groups (Michael acceptors, epoxides, nitroaromatics, etc.). Returns match details and remediation recommendations. Essential quality filter before committing to high-throughput screening hits. Use before investing in hit validation.
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default DrugProps Pains Filter call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_DrugProps_pains_filter
- Tool name
- DrugProps_pains_filter
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse