MOLGEN-CID: a canonizer for molecules and graphs accessible through the internet.
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Authors
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.
| Translated title of the contribution | MOLGEN-CID - ein im Internet zugänglicher Canonisierer für Moleküle und Graphen. |
|---|---|
| Original language | English |
| Journal | Journal of Chemical Information and Computer Science |
| Volume | 44 |
| Issue number | 2 |
| Pages (from-to) | 542-548 |
| Number of pages | 7 |
| ISSN | 0095-2338 |
| DOIs | |
| Publication status | Published - 01.09.2004 |
| Externally published | Yes |
- Chemistry
Research areas
- Computational Theory and Mathematics
- Chemistry(all)
- Computer Science Applications
- Information Systems