Archive for the ‘Chemicalize’ Category

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

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Chemicalize Webinar

Thank you to Andras Stracz from ChemAxon Ltd. for presenting a webinar discussing the possibilities of Chemicalize .

Chemicalize is a public web resource developed by ChemAxon which uses name to structure parsing to identify chemical structures on webpages and other text. Chemicalize can be accessed via the Chemical Database Service

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Summer Webinars – ACD/I-Labs, SPRESIweb and Chemicalize

A series of free webinars over the summer will provide an overview of the various resources served up via the National Chemical Database Service. Please watch / register for the webinars by clicking on the links below.

ACD/I-Labs Predictive tool for physchem, ADME and toxicity 9th July 2013 16:00 (UK) Watch
SPRESIweb Online chemical structure and reaction database 30th July 2013 12:00 (UK) Watch
Chemicalize Structure-based predictions of structures in webpage text 13th August 2013 16:00 (UK) Watch

The webinars will be followed by an opportunity to give feeedback and ask questions. All webinars will be made freely available after the event.

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