The logo of
Startpage of

The startpage of
Initial release January 11, 2009 (2009-01-11)
Stable release 0.11.0 beta / March 22, 2011; 7 months ago (2011-03-22)
Written in Java, JavaScript, PHP
Platform independent
Available in English
Type Science software, Search engine software
Website is a free chemical structure miner and web search engine developed and owned by ChemAxon. The main purpose of is to identify chemical names (SMILES, traditional and IUPAC names) on websites and convert them to chemical structures. provides other services such as structure based predictions, chemical search, and a “chemicalized” web search.


Short history of the tool's development

2009 Chemicalize a webpage

creates a modified version of the current webpage, where chemical names in the page are extended with a structure image (denoted with dotted underline).

May 2010 Calculate properties

provides a web interface for structure based predictions of several physical and chemical properties calculated by Marvin.[1] (See the list of predicted structure based properties below.)

November 2010 Chemical search

in this service, the structure is a subject of substructure and/or similarity search, and each result shows all the websites where that structure was found.

March 2011 Web search

Google Search query is generated with the chemical names on the input to find all relevant pages on the internet. The familiar Google Search result page is extended with the 2D image of all structures found on the resulting pages. Queries may contain multiple chemical names as well as non-chemical text.
a chemical Table of Contents of structures found in the document is displayed at the top of the chemicalized Web pages.

List of the predicted structure based properties

A "chemicalized" Wikipedia page with the table of content on the top, and with the tooltip above an underdotted chemical name.
The chemical properties and calculations shown through the example of the methotrexate.

See also


  1. ^ Bunin, Barry A. (2007). Chemoinformatics: theory, practice, & products. Springer. pp. 87–88. 
  2. ^ Dewick, Paul M. (2006). Essentials of organic chemistry:for students of pharmacy, medicinal chemistry and biological chemistry. John Wiley & Sons Ltd. pp. 696. 
  3. ^ William O. Foye, Thomas L. Lemke, David A. Williams (2008). Foye's principles of medicinal chemistry. Walters Kluwer: Lippincott Williams & Wilkins. pp. 78–81. 
  4. ^ Mannhold, Raimond (2008). Molecular drug properties: measurement and prediction. Weinheim: Wiley-VHC Verlag GmbH & Co.KGaA.. pp. 426. 
  5. ^ Leach, Andrew L. (2001). Molecular modelling: principles and applications second edition. Pearson Education Limited. pp. 193. 
  6. ^ Boeyens, Jan C. A. (2003). The theories of chemistry. Elsevier. pp. 393. 
  7. ^ Wheland, George Willard (1944). Resonance in organic chemistry. J. Wiley and Sons, inc.. 

External links

Wikimedia Foundation. 2010.

Look at other dictionaries:

  • Chemical nomenclature — A chemical nomenclature is a set of rules to generate systematic names for chemical compounds. The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC). The… …   Wikipedia

  • IUPAC nomenclature of organic chemistry — The IUPAC nomenclature of organic chemistry is a systematic method of naming organic chemical compounds as recommended[1] by the International Union of Pure and Applied Chemistry (IUPAC). Ideally, every possible organic compound should have a… …   Wikipedia

  • ChemAxon — Type Private Industry Life Sciences, Informatics, Cheminformatics Founded 1998 Headquarters Budapest …   Wikipedia

  • Data mining — Not to be confused with analytics, information extraction, or data analysis. Data mining (the analysis step of the knowledge discovery in databases process,[1] or KDD), a relatively young and interdisciplinary field of computer science[2][3] is… …   Wikipedia

  • Acid dissociation constant — Acetic acid, a weak acid, donates a proton (hydrogen ion, high …   Wikipedia

  • Partition coefficient — In chemistry and the pharmaceutical sciences, a partition (P) or distribution coefficient (D) is the ratio of concentrations of a compound in the two phases of a mixture of two immiscible solvents at equilibrium.[1] The terms gas/liquid partition …   Wikipedia

  • Chemical property — A chemical property is any of a material s properties that becomes evident during a chemical reaction; that is, any quality that can be established only by changing a substance s chemical identity.[1] Simply speaking, chemical properties cannot… …   Wikipedia

  • Cheminformatics — (also known as chemoinformatics and chemical informatics) is the use of computer and informational techniques, applied to a range of problems in the field of chemistry. These in silico techniques are used in pharmaceutical companies in the… …   Wikipedia

Share the article and excerpts

Direct link
Do a right-click on the link above
and select “Copy Link”

We are using cookies for the best presentation of our site. Continuing to use this site, you agree with this.