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Journal of Cheminformatics publishes selected collections of research articles, conference proceedings, reviews and reports as supplements, which are free to access online. All articles published in supplements are subject to peer review; meeting abstracts undergo review and selection by the conference. Find out more about publishing a supplement with Chemistry Central.

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

Additional Information | Conference website

Introduction   Open Access

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)

Full text | PDF | PubMed

Free software session presentation   Open Access

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   Open Access

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   Open Access

OrChem

Mark Rijnbeek Journal of Cheminformatics 2010, 2(Suppl 1):F3 (4 May 2010)

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Oral presentation   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

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   Open Access

Making people's lives easier, better and more beautiful - and how computer-aided materials design may help

Thomas Kostka Journal of Cheminformatics 2010, 2(Suppl 1):O13 (4 May 2010)

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Oral presentation   Open Access

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   Open Access

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   Open Access

ChemSpider - building a foundation for the semantic web by hosting a crowd sourced databasing platform for chemistry

Anthony J Williams, Valery Tkachenko, Sergey Golotvin, Richard Kidd, Graham McCann Journal of Cheminformatics 2010, 2(Suppl 1):O16 (4 May 2010)

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