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Matthews EJ, Kruhlak NL, Benz DR, Contrera JF, Marchant CA, Yang C. “Combined Use of MC4PC, MDL-QSAR, BioEpisteme, Leadscope PDM, and Derek for Windows Software to Achieve High-Performance, High-Confidence, Mode of Action–Based Predictions of Chemical Carcinogenesis in Rodents.” Toxicology Mechanisms and Methods. 2008;18(2-3):189-206.
Kastenmueller G, Gasteiger J, Mewes H-W. “An environmental perspective on large-scale genome clustering based on metabolic capabilities.” Bioinformatics. 2008;24:i56-62.
MONTREAL, Canada and ERLANGEN, Germany, October 8, 2007 – Chemical Computing Group Inc. (CCG) and Molecular Networks GmbH today announce the integration of CORINA, Molecular
St. Augustin and Erlangen, Germany, August 2, 2007 – BioSolveIT GmbH and Molecular Networks GmbH today announced that they are intensifying their collaboration and marketing
Boda K, Seidel T, Gasteiger J. “Structure and reaction based evaluation of synthetic accessibility.” Journal of Computer-Aided Molecular Design. 2007;21(6):311-325.
Terfloth L, Bienfait B, Gasteiger J. “Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates.” J. Chem. Inf. Model.. 2007;47(4):1688-1701.
Kaiser D, Terfloth L, Kopp S, et al. “Self-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein.” J. Med. Chem.. 2007;50(7):1698-1702.
Benigni R, Netzeva T, Benfenati E, et al. “The Expanding Role of Predictive Toxicology: An Update on the (Q)SAR Models for Mutagens and Carcinogens.” Journal of Environmental Science and Health, Part C. 2007;25(1):53-97.
Renner S, Schwab CH, Gasteiger J, Schneider G. “Impact of Conformational Flexibility on Three-Dimensional Similarity Searching Using Correlation Vectors.” Journal of Chemical Information and Modeling. 2006;46(6):2324-2332.
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