No code needed: our open-source tool BChemXtract now has a web interface, BChemXtractWeb.
✅ Extracts structures from CDX/CDXML files
✅ Generates SMILES, InChI, InChIKey, and formula
✅ Links to PubChem
✅ Exports to SDF, Molfile V3000, and JSON
🔗 https://cheminfo.beilstein.org/bchemxtract
It’s our first release, so tell us what’s unclear, broken, or missing.
#BeilsteinChemInfoLabs #Cheminformatics #InChI #OpenScience #DigitalChemistry #ChemDraw #ChemistryEducation