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Chemistry Central Journal 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 3 Suppl 1
4th German Conference on Chemoinformatics: 22. CIC-Workshop
Meeting abstracts  A single PDF containing all abstracts in this Supplement is available here.
from 4th German Conference on Chemoinformatics
Goslar, Germany. 9 11 November 2008
Edited by Frank Oellien
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Introduction
4th German Conference on Chemoinformatics: 22. CIC-Workshop. November 911, 2008, Goslar, Germany
Frank Oellien
Chemistry Central Journal 2009, 3(Suppl 1):I1 (5 June 2009)
[Abstract] [Full text] [PDF] [PubMed] [Related articles]
Oral presentation
Classification and characterization of materials from archaeometry to comets
K Varmuza
Chemistry Central Journal 2009, 3(Suppl 1):O1 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Systematic computational SAR analysis
J Bajorath
Chemistry Central Journal 2009, 3(Suppl 1):O2 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
New open drug activity data at EBI
C Steinbeck, B Al-Lazikani, H Hermjakob, J Overington, J Thornton
Chemistry Central Journal 2009, 3(Suppl 1):O3 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
SQUIRRELnovo: de novo design of a PPAR agonist by bioisosteric replacement
E Proschak, K Sander, H Zettl, Y Tanrikulu, P Schneider, O Rau, H Stark, M Schubert-Zsilavecz, G Schneider
Chemistry Central Journal 2009, 3(Suppl 1):O4 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Explorative Data Analysis: from machine learning to discovery support systems
MR Berthold
Chemistry Central Journal 2009, 3(Suppl 1):O5 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
A new approach to kernel based data analysis algorithms
HY Mussa, RC Glen
Chemistry Central Journal 2009, 3(Suppl 1):O6 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Calculation of molecular lipophilicity: state of the art and comparison of methods on more than 96000 compounds
M Mannhold, GI Poda, C Ostermann, IV Tetko
Chemistry Central Journal 2009, 3(Suppl 1):O7 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
A novel method for predicting ligand regioselectivity to metabolism by the CYP3A4 enzyme
J Zaretzki, C Bergeron, K Bennett, C Breneman
Chemistry Central Journal 2009, 3(Suppl 1):O8 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Graph representation of molecular datasets: applications to dataset visualization and comparison using graph indices
A Tropsha, D Fourches
Chemistry Central Journal 2009, 3(Suppl 1):O9 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Efficient ant colony optimization algorithms for structure- and ligand-based drug design
O Korb
Chemistry Central Journal 2009, 3(Suppl 1):O10 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Incorporating molecular flexibility into three-dimensional structural kernels
A Jahn
Chemistry Central Journal 2009, 3(Suppl 1):O11 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Computational nanoscience
R Herges
Chemistry Central Journal 2009, 3(Suppl 1):O12 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Crystal structures of moderately complex organic molecules are predictable
J Van de Streek, MA Neumann
Chemistry Central Journal 2009, 3(Suppl 1):O13 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
The perfect fit? Balancing predictive power and computational complexity for an atomistic model as prerequisite for nano-scale simulations
A Maaß, TJ Müller, L Nikitina, M Hülsmann
Chemistry Central Journal 2009, 3(Suppl 1):O14 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Open access: does it address our problems?
SM Bachrach
Chemistry Central Journal 2009, 3(Suppl 1):O15 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Seamless integration of the PubChem database into an universal scriptable chemical information processing environment
W-D Ihlenfeldt
Chemistry Central Journal 2009, 3(Suppl 1):O16 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Detection, analysis, and visualization of relevant scaffolds in medicinal chemistry project databases
AM Clark
Chemistry Central Journal 2009, 3(Suppl 1):O17 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Dynamic pharmacophores of the 5-HT1B receptor
RC Glen, J Bell
Chemistry Central Journal 2009, 3(Suppl 1):O18 (5 June 2009)
[Abstract] [Full text] [PDF]
Oral presentation
Fast and accurate method for flexible ligand superposition and shapebased screening
M Sastry, J Duan, W Sherman, S Dixon
Chemistry Central Journal 2009, 3(Suppl 1):O19 (5 June 2009)
[Abstract] [Full text] [PDF]
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