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Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)

Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC) Chemistry Central Journal Open Access Poster presentation Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC) Hans-Jürgen Himmler* and Alexander Kos Address: AKos Consulting & Solutions Deutschland GmbH (AKos GmbH), Austr. 26, D-79585 Steinen, Germany * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):P43 doi:10.1186/1752-153X-2-S1-P43 <supplement> <title> <p>3rd German Conference on Chemoinformatics: 21. CIC-Workshop</p> </title> <note>Meeting abstracts - A single PDF containing all abstracts in this Supplement is available <a href="http://www.biomedcentral.com/content/files/pdf/1752-153X-2-S1-full.pdf">here</a>.</note> <url>http://www.biomedcentral.com/content/pdf/1752-153X-2-S1-info.pdf</url> </supplement> This abstract is available from: http://www.journal.chemistrycentral.com/content/2/S1/P43 © 2008 Himmler and Kos The open source program Personal Chemistry Client In addition to saving search forms, PCC allows to import/ (PCC) a .Net program integrates chemical structure infor- export search results to list files and to generate HTML mation with associated alphanumeric data. files from search results, including structures, for printing. Structures are encoded in the HTML file using the free The user can choose to perform exact structure, substruc- ChemView ActiveX control from Hyleos.net [2]. ture searches or structure similarity searches. The associ- ated data can be stored in Microsoft Excel, and all major PCC is http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chemistry Central Journal Springer Journals

Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)

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Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)

Abstract

Chemistry Central Journal Open Access Poster presentation Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC) Hans-Jürgen Himmler* and Alexander Kos Address: AKos Consulting & Solutions Deutschland GmbH (AKos GmbH), Austr. 26, D-79585 Steinen, Germany * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):P43...
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References (2)

Publisher
Springer Journals
Copyright
Copyright © 2008 by Himmler and Kos
Subject
Chemistry; Chemistry/Food Science, general
eISSN
1752-153X
DOI
10.1186/1752-153X-2-S1-P43
Publisher site
See Article on Publisher Site

Abstract

Chemistry Central Journal Open Access Poster presentation Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC) Hans-Jürgen Himmler* and Alexander Kos Address: AKos Consulting & Solutions Deutschland GmbH (AKos GmbH), Austr. 26, D-79585 Steinen, Germany * Corresponding author from 3rd German Conference on Chemoinformatics Goslar, Germany. 11-13 November 2007 Published: 26 March 2008 Chemistry Central Journal 2008, 2(Suppl 1):P43 doi:10.1186/1752-153X-2-S1-P43 <supplement> <title> <p>3rd German Conference on Chemoinformatics: 21. CIC-Workshop</p> </title> <note>Meeting abstracts - A single PDF containing all abstracts in this Supplement is available <a href="http://www.biomedcentral.com/content/files/pdf/1752-153X-2-S1-full.pdf">here</a>.</note> <url>http://www.biomedcentral.com/content/pdf/1752-153X-2-S1-info.pdf</url> </supplement> This abstract is available from: http://www.journal.chemistrycentral.com/content/2/S1/P43 © 2008 Himmler and Kos The open source program Personal Chemistry Client In addition to saving search forms, PCC allows to import/ (PCC) a .Net program integrates chemical structure infor- export search results to list files and to generate HTML mation with associated alphanumeric data. files from search results, including structures, for printing. Structures are encoded in the HTML file using the free The user can choose to perform exact structure, substruc- ChemView ActiveX control from Hyleos.net [2]. ture searches or structure similarity searches. The associ- ated data can be stored in Microsoft Excel, and all major PCC is

Journal

Chemistry Central Journal – Springer Journals

Published: Mar 26, 2008

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