MOLGEN-CID A Canonizer for Molecules and Graphs Accessible through the Internet
- 9 January 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 44 (2) , 542-548
- https://doi.org/10.1021/ci030404l
Abstract
The MOLGEN Chemical Identifier MOLGEN-CID is a software module freely accessible via the Internet. For a molecule or graph entered in molfile format (2D) it produces, by a canonical renumbering procedure, a canonical molfile and a unique character string that is easily compared by computer to a similar string. The mode of operation of MOLGEN-CID is detailed and visualized with examples.Keywords
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