Archive for the “running news” category
Review in JCIM
by Andras Stracz on March 2, 2012
Matt Swain from the University of Cambridge reviewed chemicalize.org and published his findings in the Journal of Chemical Information and Modeling. It’s quite good :)
Check it out at acs.org!
Leave your commentCAS Registry Numbers in Properties Viewer
by Andras Stracz on January 3, 2012 • Tagged as: property calculation
Today we added a new structure identifier to the Properties Viewer: CAS Registry Numbers.
For those who are not yet familiar with CAS numbers, they are unique numerical identifiers assigned by the Chemical Abstracts Service to every chemical described in the open scientific literature. Check out the wikipedia article for a more detailed description.
Your input structure’s CAS number is resolved using the “cactus” nih.gov web service at: http://cactus.nci.nih.gov/
We hope you find this latest addition to chemicalize.org useful!
Instant Structure Extractor
by Andras Stracz on September 26, 2011 • Tagged as: document mining
chemicalize.org lets you view webpages or PDF documents with chemical structures highlighted, but what if all you have is a piece of text? On the chemicalize.org frontpage, you can now paste any text for instant structure extraction.
Here’s how it works: when you paste some text, we add 2 large text fields to the page (if it doesn’t look like URL or a chemical structure name and it’s longer than 1 average length English sentence).
The first text field, Original, will hold your input. The second, chemicalized, will show the highlighted version where you can mouse over the names to see the 2D structure image just like on a webpage. You can keep editing the original version, and the chemicalized version will automatically update.
That’s it, we hope you find this little feature useful! If you’d like to see improvements for this, please fill out this short survey!
2 commentsIntroducing the Document Viewer
by Andras Stracz on September 20, 2011 • Tagged as: document mining, PDF
Today we launched a new service on chemicalize.org (as we mentioned in previous blog post: Upcoming new feature – extract molecules from PDF files) to enable viewing and extracting chemical structures from PDF files.
Before any technical details, here’s a demo with an open access article: Simple isatin derivatives as free radical scavengers… Chen, 2011.
The Document Viewer – strongly resembling the existing webpage viewer – includes the following features:
- view PDF document in the browser
- find and highlight location of structures
- extract chemical structures from the document
Due to the nature of PDF files, access may be limited as follows:
- uploaded PDF – only you have access, others may only see the abstract
- link to PDF on the web – public, others will see the entire document
To get started, go to http://www.chemicalize.org/ and click upload.
This development was added based on your feedback, so we hope you’ll enjoy it! Don’t forget to let us know your thoughts in the short questionnaire below!
Leave your commentDeveloper presentation on chemical name to structure conversion
by Andras Stracz on August 29, 2011 • Tagged as: document mining
The archive of ChemAxon’s latest user group meeting recently opened with downloadable presentations and videos.
Among others Daniel Bonniot, the developer of ChemAxon’s and chemicalize.org’s naming tools, presented the latest news and changes in our technology. You might be interested in his presentation which is available in ChemAxon’s online library.
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