Articles
Volume 3 Supplement 1
6th German Conference on Chemoinformatics, GCC 2010
Meeting abstracts
6th German Conference on Chemoinformatics, GCC 2010
Goslar, Germany
7-9 November 2010
Edited by Frank Oellien, Uli Fechner and Thomas Engel
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Introduction
German Conference on Chemoinformatics 2010 – organizers' notes Frank Oellien, Uli Fechner, Thomas Engel Journal of Cheminformatics 2011, 3(Suppl 1):I1 (19 April 2011) |
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Oral presentation
Colleen Fitzpatrick Journal of Cheminformatics 2011, 3(Suppl 1):O1 (19 April 2011) |
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Oral presentation
Wolfgang Guba, Daniel Stoffler Journal of Cheminformatics 2011, 3(Suppl 1):O2 (19 April 2011) |
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Oral presentation
Gregory Landrum, Richard Lewis, Andrew Palmer, Nikolaus Stiefl, Anna Vulpetti Journal of Cheminformatics 2011, 3(Suppl 1):O3 (19 April 2011) |
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Oral presentation
Chemical ontologies: what are they, what are they for and what are the challenges Janna Hastings, Nico Adams, Marcus Ennis, Duncan Hull, Christoph Steinbeck Journal of Cheminformatics 2011, 3(Suppl 1):O4 (19 April 2011) |
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Oral presentation
Cheminformatics and computational chemistry in lead optimisation Andrew R Leach Journal of Cheminformatics 2011, 3(Suppl 1):O5 (19 April 2011) |
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Oral presentation
Computational metabolomics – a field at the boundaries of cheminformatics and bioinformatics Christoph Steinbeck, Stefan Kuhn, Kalai Vanii Jayaseelan, Pablo Moreno Journal of Cheminformatics 2011, 3(Suppl 1):O6 (19 April 2011) |
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Oral presentation
Representation of Markush structures: from molecules toward patents Szabolcs Csepregi, Nóra Máté, Róbert Wágner, Tamás Csizmazia, Szilárd Dóránt, Erika Bíró, Tim Dudgeon, Ali Baharev, Ferenc Csizmadia Journal of Cheminformatics 2011, 3(Suppl 1):O7 (19 April 2011) |
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Oral presentation
Graph kernels for chemoinformatics – a critical discussion Matthias Rupp Journal of Cheminformatics 2011, 3(Suppl 1):O8 (19 April 2011) |
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Oral presentation
Dan J Warner, Stephen A St-Gallay, Edward J Griffen Journal of Cheminformatics 2011, 3(Suppl 1):O9 (19 April 2011) |
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Oral presentation
Phototoxicity – from molecular descriptors to classification models Friedemann Schmidt, Andreas Evers, Alexander Amberg, Gerhard Hessler, Catherine Robles, Karl-Heinz Baringhaus Journal of Cheminformatics 2011, 3(Suppl 1):O10 (19 April 2011) |
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Oral presentation
Constraint counting on RNA and ribosomal structures: linking flexibility and function Simone Fulle, Holger Gohlke Journal of Cheminformatics 2011, 3(Suppl 1):O11 (19 April 2011) |
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Oral presentation
Chemical pattern visualization in 2D – the SMARTSviewer Karen Schomburg, Hans-Christian Ehrlich, Katrin Stierand, Matthias Rarey Journal of Cheminformatics 2011, 3(Suppl 1):O12 (19 April 2011) |
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Oral presentation
Composite multiscale chemical informatics for formulations: challenges and solutions Johannes GEM Fraaije, Ruben Gracia Journal of Cheminformatics 2011, 3(Suppl 1):O13 (19 April 2011) |
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Oral presentation
Noel M O’Boyle, Casey M Campbell, Geoffrey R Hutchison Journal of Cheminformatics 2011, 3(Suppl 1):O14 (19 April 2011) |
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Oral presentation
Thermodynamic models and factual data banks - ideal tools for the development of chemical processes Jürgen Gmehling Journal of Cheminformatics 2011, 3(Suppl 1):O15 (19 April 2011) |
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Oral presentation
Roger A Sayle, Plamen Petrov, Jon Winter, Sorel Muresan Journal of Cheminformatics 2011, 3(Suppl 1):O16 (19 April 2011) |
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Oral presentation
Jens Krüger, Georg Birkenheuer, Dirk Blunk, Sebastian Breuers, André Brinkmann, Gregor Fels, Sandra Gesing, Richard Grunzke, Oliver Kohlbacher, Nico Kruber, Ulrich Lang, Lars Packschies, Ralph Müller-Pfefferkorn, Sonja Herres-Pawlis, Patrick Schäfer, Hans-Günther Schmalz, Thomas Steinke, Klaus-Dieter Warzecha, Martin Wewior Journal of Cheminformatics 2011, 3(Suppl 1):O17 (19 April 2011) |
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Oral presentation
On the validity of popular assumptions in computational drug design Gerhard Klebe Journal of Cheminformatics 2011, 3(Suppl 1):O18 (19 April 2011) |
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Oral presentation
Predicting drug polypharmacology using a novel surface property similarity-based approach Violeta I Perez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W Ritchie Journal of Cheminformatics 2011, 3(Suppl 1):O19 (19 April 2011) |
