Articles
Volume 2 Supplement 1
3rd German Conference on Chemoinformatics: 21. CIC-Workshop
Meeting abstracts
3rd German Conference on Chemoinformatics
Goslar, Germany
11-13 November 2007
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Poster presentation
Exploring benchmark dataset bias in ligand based virtual screening Knut Baumann, SG Rohrer Chemistry Central Journal 2008, 2(Suppl 1):P1 (26 March 2008) |
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Poster presentation
Estimating the applicability domain of kernel based QSPR models using classical descriptor vectors NH Fechner, G Hinselmann, C Schmiedl, Andreas Zell Chemistry Central Journal 2008, 2(Suppl 1):P2 (26 March 2008) |
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Poster presentation
Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints D Horvath Chemistry Central Journal 2008, 2(Suppl 1):P3 (26 March 2008) |
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Poster presentation
SOMA2 – open source framework for molecular modelling workflows Tapani Kinnunen, TH Nyrönen, P Lehtovuori Chemistry Central Journal 2008, 2(Suppl 1):P4 (26 March 2008) |
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Poster presentation
Multi-body interactions in molecular docking: treatment of water molecules and multiple ligands Oliver Korb, T Stützle, TE Exner Chemistry Central Journal 2008, 2(Suppl 1):P5 (26 March 2008) |
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Poster presentation
A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation Rene Meier, Frank Brandt, Teresa M Pisabarro, Carsten Baldauf, Wolfgang Sippl Chemistry Central Journal 2008, 2(Suppl 1):P6 (26 March 2008) |
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Poster presentation
Multi-objective Christos A Nicolaou, CS Pattichis Chemistry Central Journal 2008, 2(Suppl 1):P7 (26 March 2008) |
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Poster presentation
Molecular field topology analysis and structure generation VA Palyulin, EV Radchenko, AA Melnikov, NS Zefirov Chemistry Central Journal 2008, 2(Suppl 1):P8 (26 March 2008) |
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Poster presentation
On some aspects of validation of predictive QSAR models K Roy, PP Roy, JT Leonard Chemistry Central Journal 2008, 2(Suppl 1):P9 (26 March 2008) |
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Poster presentation
Molecular similarity for machine learning in drug development M Rupp, E Proschak, G Schneider Chemistry Central Journal 2008, 2(Suppl 1):P10 (26 March 2008) |
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Poster presentation
Tautomerism in structure-based 3D pharmacophore modeling Thomas Seidel, G Wolber, T Langer Chemistry Central Journal 2008, 2(Suppl 1):P11 (26 March 2008) |
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Poster presentation
The influence of protonation in protein-ligand docking ten T Brink, TE Exner Chemistry Central Journal 2008, 2(Suppl 1):P12 (26 March 2008) |
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Poster presentation
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods Igor V Tetko, I Jaroszewicz, J Platts, J Kuduk-Jaworska Chemistry Central Journal 2008, 2(Suppl 1):P13 (26 March 2008) |
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Poster presentation
Igor V Tetko, Alexander Tropsha, H Zhu, E Papa, P Gramatica, T Öberg, D Fourches, A Varnek Chemistry Central Journal 2008, 2(Suppl 1):P14 (26 March 2008) |
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Poster presentation
M Thormann, A Klamt, K Wichmann, C Wittekindt, M Almstetter Chemistry Central Journal 2008, 2(Suppl 1):P15 (26 March 2008) |
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Poster presentation
The use of quantum chemistry in the prediction of ADME-Tox properties S Van Damme, P Bultinck Chemistry Central Journal 2008, 2(Suppl 1):P16 (26 March 2008) |
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Poster presentation
QSAR modelling of acute toxicity in the fathead minnow Alexey Zakharov, A Lagunin, D Filimonov, V Poroikov Chemistry Central Journal 2008, 2(Suppl 1):P17 (26 March 2008) |
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Poster presentation
Computer-aided predictions of potential antineoplastic agents Alexey Zakharov, A Lagunin, D Filimonov, V Poroikov Chemistry Central Journal 2008, 2(Suppl 1):P18 (26 March 2008) |
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Poster presentation
A Zaliani, C Mueller, M Rarey Chemistry Central Journal 2008, 2(Suppl 1):P19 (26 March 2008) |
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Poster presentation
Mohamed Zerara, R Kretschmer, Thomas E Exner, J Brickmann Chemistry Central Journal 2008, 2(Suppl 1):P20 (26 March 2008) |
