ChemAxon extends chemicalize.org alpha with predicted data and user customization

news · 10 years ago
chemicalize.org

ChemAxon announces the addition of major new functionality in its chemicalize.org web based service. The new features help users understand better the chemical structure with more predicted properties and a customizable layout to be of most use.

chemicalize.org is a service to add chemistry and chemical information to a users web browsing experience by identifying chemical structure names from web page text and adding structure images within a 'chemicalized' version of the web page. Users can also 'chemicalize' chemical names or structure files directly through the service. Beyond structure recognition and generation users can explore individual structures to see structure related properties and other calculations.

The latest release sees improvements in chemical name recognition, potential to upload chemical structure files and the addition of a new ‘Data page’, which generates many structure based predictions for each molecule and presents these in a customizable form (open, close, move and resize individual calculation panels). Major calculations include logP, logD, pKa, topology analysis and charge. Other calculations are to be added in the future.

To try the service, visit chemicalize.org or mouse over the dotted underline text on this chemicalized wikipedia page, List of organic compounds.

The service is to be presented during ChemAxon’s User Group Meeting being held at Boston’s Omni Parker house, September 14-15.

About chemicalize.org chemicalize.org is a public website created by ChemAxon for adding chemical resolution to web browsing, chemical names and structure files. The service is free and will be useful to anyone wishing to add chemical structures and data to their web experience.