Chemicalize

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:

Chemicalize fatsheet

Digg This
Reddit This
Stumble Now!
Share on Facebook
Bookmark this on Delicious
Share on LinkedIn
Bookmark this on Technorati
Post on Twitter
Google Buzz (aka. Google Reader)

Leave a Reply

*