Volume 4 Supplement 1

7th German Conference on Chemoinformatics: 25 CIC-Workshop

Open Access

ChemProspector and generic structures: advanced mining and searching of chemical content

  • Valentina Eigner-Pitto1Email author,
  • Josef Eiblmaier1,
  • Hans Kraut1,
  • Larisa Isenko1,
  • Heinz Saller1 and
  • Peter Loew1
Journal of Cheminformatics20124(Suppl 1):O17

https://doi.org/10.1186/1758-2946-4-S1-O17

Published: 1 May 2012

Chemical information mining has turned into a well-established scientific area over the last five years. Several software solutions exist that are able to identify and extract names of chemical compounds in text documents and convert them into chemical structure-searchable information. Likewise, several programs exist which recognize chemical structures from images and translate them into the computer-readable format, the connection table. However, a still unsolved issue is the automatic abstraction of generic compounds (Markush structures). These usually consist of a core structure image and variable groups specified in the text, in additional images or in tables.

This presentation describes our hybrid approach to extract generic structure information from documents by using combining information science, cheminformatics, computational linguistics and pattern recognition techniques. Experiences with the envisaged methodology and the first results are presented.

This research project is funded by the German Ministry of Economics and Technology. It is part of the THESEUS research programme which has the goal to facilitate access to information, combine data to form new kinds of knowledge and lay the groundwork for new services on the Internet.

Authors’ Affiliations

(1)
InfoChem GmbH

Copyright

© Eigner-Pitto et al; licensee BioMed Central Ltd. 2012

This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.