Overview
ChemAxon’s name to structure toolkit recognizes and imports common, traditional, CAS and IUPAC chemical names as chemical structures. Names can be handled singly and in batch directly from ChemAxon’s desktop applications and is supported as an input format throughout ChemAxon’s toolkit technology.
Key features:
- High performance algorithm, parses and identifies chemical text in the same process
- Extensive dictionary of common and traditional names and support for user defined dictionaries
- Text and HTML document support
Integration:
Desktop applications: Names can be pasted into MarvinSketch and lists can be imported into MarvinView, Instant JChem and JChem for Excel.
Toolkit: API and command line is supported as an input format throughout the ChemAxon functionality, including automatic format recognition and file import.
Learn more about name to structure generation.
chemicalize.org
We have implemented the Name to structure functionality into a browsing tool, called chemicalize.org, to parse chemical names and present the corresponding structure images as you browse the web.
Users type or paste web site address or chemical name or file content and are taken either to the web page which has been parsed and chemical names annotated with chemical structure images or, for single structures, to a data page with structure predicitons for the structure. When browsing the web from chemicalize.org visited links continue to be chemicalized, see screen captures below for Wikipedia and NIH NLM.
FAQ
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What is Name to Structure?
Name2Structure is the tool that converts chemical names to structures.
Do I have to do programming for using Name to Structure?
Not necessarily. Name2Structure plugs in the whole range of ChemAxon end-user products, where it can be used using the user interface: MarvinSketch, MarvinView, InstantJChem, and also using the command-line Molconverter tool. Name2Structure is also available in the ChemAxon API for your customized developments.
What kind of additional software is needed?
None.
What styles of names does Name2Structure support?
We aim to support as many nomenclatures as possible, including: IUPAC, CAS, systematic, traditional and common names, drug names etc.
Can I extend the Name to Structure capabilities?
Yes. If your domain uses names not yet understand by the standard Name to Structure conversion, you can specify a custom dictionary to be used to extend the recognition possibilities.
Related forum threads
License Issue (March 1st, 04:02pm)
“Dear,
For this operation you need a valid license. If you are interested in purchasing an annual or perpetual license for Name to Structure we are glad to send you a quotation.
We should know the number of users i.e. the people who would acc...”
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molconvert name error (January 28th, 02:53pm)
“Hi,
I want to generate an iupac name for aromatic fused molecules...
Try to sketch the Kekulé representation for the "aromatic fused molecules" by hand. You will see that this is not possible.
Smiles representation of your fused molecule...”
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IUPAC Name questions (January 28th, 01:14pm)
“Dear Paul,
Thanks for your update. For case 1, this is indeed a solution. Technically, even 'identical' structures can be represented in several ways internally, possibly leading to different but both valid names. The 'preferred names' specificat...”
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Convert name to structure (August 26th, 06:21pm)
“A name file is a plain text file, with one name per line. I attach a very simple example. Note that for temporary technical reasons, the file is called example.txt, which also works since marvin can automatically detect format, but you can rename ...”
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Name to Structure
