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Publication search results
found 74 matches
- 2013
- Ahmed Abdelaziz, Alexander Safanyaev, Vladimir A. Palyulin, Igor V. Tetko:
Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators. J. Cheminformatics 5(S-1): 51 (2013) - V. Arulmozhi, Reghunadhan Rajesh:
Predicting the protein localization sites using artificial neural networks. J. Cheminformatics 5(S-1): 46 (2013) - V. Arulmozhi, Reghunadhan Rajesh:
Neural network based classification of acute toxicity of phthalate esters to fathead minnow. J. Cheminformatics 5(S-1): 47 (2013) - Désirée Baumann, Knut Baumann:
Reliable estimation of externally validated prediction errors for QSAR models. J. Cheminformatics 5(S-1): 33 (2013) - Luca Carlino, Martin Schmitt, Manfred Jung, Wolfgang Sippl:
Ligand-based and structure-based design of novel histone demethylase inhibitors. J. Cheminformatics 5(S-1): 41 (2013) - Rucha K. Chiddarwar, Andreas Bender, Sebastian Rohrer:
In silico target prediction: identification of on- and off-targets for crop protection agents. J. Cheminformatics 5(S-1): 18 (2013) - Lucio Ciacchi:
Computational prediction of heterogeneous interface properties at the atomic level. J. Cheminformatics 5(S-1): 10 (2013) - Isidro Cortes-Ciriano, Alexios Koutsoukas, Olga Abian, Andreas Bender, Adrián Velázquez-Campoy:
Experimental validation of in silico target predictions on synergistic protein targets. J. Cheminformatics 5(S-1): 31 (2013) - Andrew Dalke:
The FPS fingerprint format and chemfp toolkit. J. Cheminformatics 5(S-1): 36 (2013) - Andrew Dalke, Janna Hastings:
FMCS: a novel algorithm for the multiple MCS problem. J. Cheminformatics 5(S-1): 6 (2013) - Georgios Drakakis, Alexios Koutsoukas, Suzanne Clare Brewerton, David A. Evans, Andreas Bender:
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model. J. Cheminformatics 5(S-1): 34 (2013) - Susanne Eyrisch, Tobias Girschick, Günter Ross, Cédric Kalinski, Vladimir Khazak, Lutz Weber:
PriaXplore® - a novel technology platform for the identification of small molecule modulators of protein-protein interactions. J. Cheminformatics 5(S-1): 35 (2013) - Fazlin Fauzi, Alexios Koutsoukas, Robert Lowe, Kalpana Joshi, Tai-Ping Fan, Andreas Bender:
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines. J. Cheminformatics 5(S-1): 44 (2013) - Uli Fechner:
8th German Conference on Chemoinformatics. J. Cheminformatics 5(S-1): 1 (2013) - Andreas H. Göller:
Dataset overlap density analysis. J. Cheminformatics 5(S-1): 14 (2013) - Guenter Grethe, Jonathan M. Goodman, Chad H. G. Allen:
International chemical identifier for chemical reactions. J. Cheminformatics 5(S-1): 16 (2013) - Robert Günther, Winnie Deuther-Conrad, Rares Moldovan, Steffen Fischer, Peter Brust:
A 3D-QSAR model for cannabinoid receptor (CB2) ligands derived from aligned pharmacophors. J. Cheminformatics 5(S-1): 40 (2013) - Volker Hähnke, Evan Bolton, Stephen H. Bryant:
PubChem: atom environments for molecule standardization. J. Cheminformatics 5(S-1): 38 (2013) - Janna Hastings, Pablo Conesa, Adriano Dekker, Marcus Ennis, Kenneth Haug, Kalai Vanii Jayaseelan, Namrata Kale, Tejasvi Mahendraker, Pablo A. Moreno, Venkatesh Muthukrishnan, Gareth I. Owen, Reza M. Salek, Steve Turner, Christoph Steinbeck:
Expanding natural product chemistry resources at the EBI. J. Cheminformatics 5(S-1): 43 (2013) - Lennart Heinzerling, Matthias Rarey:
Force-field-based minimizations of protein-ligand complexes in the blink of an eye. J. Cheminformatics 5(S-1): 14 (2013) - Stephen R. Heller:
InChI - the worldwide chemical structure standard. J. Cheminformatics 5(S-1): 37 (2013) - Bahareh Honarparvar, Hendrik G. Kruger, Mahmoud E. S. Soliman, Glenn E. M. Maguire, Thavendran Govender:
Molecular modelling studies of synthesized pentacyclo-undecane peptides as potential HIV-1 wild type C-SA protease inhibitors. J. Cheminformatics 5(S-1): 1 (2013) - Wolf-Dietrich Ihlenfeldt:
A next-generation chemistry database cartridge. J. Cheminformatics 5(S-1): 19 (2013) - Wolf-Dietrich Ihlenfeldt:
Taking the PubChem web sketcher to the next level. J. Cheminformatics 5(S-1): 20 (2013) - Carina Jehn, Frank Schmidt-Döhl:
Simulation of transport processes and chemical reactions in building materials. J. Cheminformatics 5(S-1): 13 (2013) - Petr Kacer, Jan Svoboda, Tereza Louzilova, Kamila Syslova, Marek Kuzma:
Pt(II) and Pt(IV) complexes with large hydrophobic ligands: a study of new potential cytostatics. J. Cheminformatics 5(S-1): 52 (2013) - Anna Kahler, Anselm H. C. Horn, Heinrich Sticht:
Stability of single and double layer fibrillar amyloid-β oligomers. J. Cheminformatics 5(S-1): 9 (2013) - Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen:
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules. J. Cheminformatics 5(S-1): 12 (2013) - Oliver Koch:
More than a rigid framework: molecular design using secondary structure element information. J. Cheminformatics 5(S-1): 45 (2013) - Florian Koelling:
PREDator - a new structure-based approach for cross-reactivity predictions. J. Cheminformatics 5(S-1): 6 (2013)
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