Everything You Need for Chemical Structure Validation
01
Comprehensive Validation
8+ structural checks including parsability, valence, aromaticity, and stereochemistry validation
02
Batch Processing
Process up to 10,000 molecules with real-time WebSocket progress tracking and partial failure handling
03
Structural Alerts
Screen against PAINS, BRENK, NIH, ZINC, and ChEMBL alert sets with 1500+ patterns
04
ML-Ready Scoring
Assess drug-likeness, ADMET predictions, NP-likeness, and aggregator likelihood scoring
05
Standardization
ChEMBL-compatible pipeline with salt stripping, tautomer canonicalization, and parent extraction
06
Database Lookup
Cross-reference PubChem, ChEMBL, and COCONUT natural products database
40+ Checks
10K+ Molecules/Batch
6 Export Formats
Open Source