Chemicalize is a public web resource which identifies chemical structures in webpages, pdf files and other text using ChemAxon’s Name to Structure parsing and indicates their prevalence. Chemical structures mentioned can be downloaded as .mrv, InChI (.csv), .sdf, SMILES (.smi) or .name, and used as starting points for property calculations and further searches.
Chemicalize also make structure-based predictions:
- IUPAC name
- Partioning data
- Microspecies
- Protonation properties (pKa, isoelectric point)
- Charge characteristics (polarisability, electronegativity)
- Geometric analysis: polar/molecular surface area
- Hückel analysis
- Lipinski analysis
Watch an introductory webinar to Chemicalize here.
A factsheet with more information about Chemicalize can be downloaded here:
