Articles
Volume 2 Supplement 1
5th German Conference on Cheminformatics: 23. CIC-Workshop
Meeting abstracts
5th German Conference on Cheminformatics: 23. CIC-Workshop
Goslar, Germany
8-10 November 2009
Edited by Frank Oellien, Uli Fechner and Thomas Engel
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Introduction
5th German Conference on Chemoinformatics: 23. CIC-Workshop. November 8-10, 2009, Goslar, Germany Frank Oellien, Uli Fechner, Thomas Engel Journal of Cheminformatics 2010, 2(Suppl 1):A1 (4 May 2010) |
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Free software session presentation
Bingo from SciTouch LLC: chemistry cartridge for Oracle database Dmitry Pavlov, Mikhail Rybalkin, Boris Karulin Journal of Cheminformatics 2010, 2(Suppl 1):F1 (4 May 2010) |
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Free software session presentation
Dingo: 2D molecule and reaction structural formula rendering library Mikhail Kozhevnikov, Boris Karulin Journal of Cheminformatics 2010, 2(Suppl 1):F2 (4 May 2010) |
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Free software session presentation
Mark Rijnbeek Journal of Cheminformatics 2010, 2(Suppl 1):F3 (4 May 2010) |
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Oral presentation
Systems chemistry: from chemical self-replication to trisoligo-based nanoconstruction Günter von Kiedrowski Journal of Cheminformatics 2010, 2(Suppl 1):O1 (4 May 2010) |
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Oral presentation
The role of systems modeling in drug discovery and predictive health Eberhard O Voit Journal of Cheminformatics 2010, 2(Suppl 1):O2 (4 May 2010) |
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Oral presentation
Molecular bioactivity extrapolation to novel targets by support vector machines Gerard JP Van Westen, JK Wegner, AP IJzerman, HWT Van Vlijmen, A Bender Journal of Cheminformatics 2010, 2(Suppl 1):O3 (4 May 2010) |
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Oral presentation
Representation and searching of biomolecules Joeseph L Durant, WL Chen, BD Christie, DL Grier, BA Leland, JG Nourse Journal of Cheminformatics 2010, 2(Suppl 1):O4 (4 May 2010) |
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Oral presentation
Cross-validation is dead. Long live cross-validation! Model validation based on resampling Knut Baumann Journal of Cheminformatics 2010, 2(Suppl 1):O5 (4 May 2010) |
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Oral presentation
A unified approach to the applicability domain problem of QSAR models Dragos Horvath, Gilles Marcou, Alexandre Varnek Journal of Cheminformatics 2010, 2(Suppl 1):O6 (4 May 2010) |
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Oral presentation
Quantifying model errors using similarity to training data Rob D Brown, JD Honeycutt, SL Aaron Journal of Cheminformatics 2010, 2(Suppl 1):O7 (4 May 2010) |
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Oral presentation
A Branch-and-Bound approach for tautomer enumeration Torsten Thalheim, R-U Ebert, R Kühne, G Schüürmann Journal of Cheminformatics 2010, 2(Suppl 1):O8 (4 May 2010) |
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Oral presentation
KnowledgeSpace - a publicly available virtual chemistry space Carsten Detering, H Claussen, M Gastreich, C Lemmen Journal of Cheminformatics 2010, 2(Suppl 1):O9 (4 May 2010) |
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Oral presentation
3D pharmacophore alignments: does improved geometric accuracy affect virtual screening performance? Gerhard Wolber, T Seidel, F Bendix Journal of Cheminformatics 2010, 2(Suppl 1):O10 (4 May 2010) |
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Oral presentation
The protein flexibility in receptor-ligand docking simulations Frank Tristram Journal of Cheminformatics 2010, 2(Suppl 1):O11 (4 May 2010) |
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Oral presentation
Random molecular substructures as fragment-type descriptors José Batista Journal of Cheminformatics 2010, 2(Suppl 1):O12 (4 May 2010) |
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Oral presentation
Thomas Kostka Journal of Cheminformatics 2010, 2(Suppl 1):O13 (4 May 2010) |
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Oral presentation
Biomaterialcoatings - a challenging task studied by the molecular fragment dynamics Carsten Wittekindt, H Kuhn Journal of Cheminformatics 2010, 2(Suppl 1):O14 (4 May 2010) |
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Oral presentation
Mechanistic studies on the ring-opening polymerisation of D,L-lactide with zinc guanidine complexes S Herres-Pawlis, J Börner, Vieira I dos Santos, U Flörke Journal of Cheminformatics 2010, 2(Suppl 1):O15 (4 May 2010) |
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Oral presentation
Anthony J Williams, Valery Tkachenko, Sergey Golotvin, Richard Kidd, Graham McCann Journal of Cheminformatics 2010, 2(Suppl 1):O16 (4 May 2010) |
