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Journal of Cheminformatics publishes selected research, proceedings and collections of thematic reviews as supplements. All articles published in supplements are subject to peer review and are free to access online. The journal also publishes supplements containing meeting abstracts.
Contents of Volume 2 Suppl 1
5th German Conference on Cheminformatics: 23. CIC-Workshop
Meeting abstracts - A single PDF containing all abstracts in this Supplement is available here.
from 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)
[Abstract] [Full text] [PDF] [PubMed] [Related articles]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
Free software session presentation
OrChem
Mark Rijnbeek
Journal of Cheminformatics 2010, 2(Suppl 1):F3 (4 May 2010)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
Oral presentation
The protein flexibility in receptor-ligand docking simulations
Frank Tristram
Journal of Cheminformatics 2010, 2(Suppl 1):O11 (4 May 2010)
[Abstract] [Full text] [PDF]
Oral presentation
Random molecular substructures as fragment-type descriptors
José Batista
Journal of Cheminformatics 2010, 2(Suppl 1):O12 (4 May 2010)
[Abstract] [Full text] [PDF]
Oral presentation
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
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)
[Abstract] [Full text] [PDF]
Oral presentation
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)
[Abstract] [Full text] [PDF]
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