Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction.
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Richard AM, Yang C, Judson RS. “Toxicity Data Informatics: Supporting a New Paradigm for Toxicity Prediction.” Toxicology Mechanisms and Methods. 2008;18(2-3):103-118.
Kornhuber J, Tripal P, Reichel M, et al. “Identification of New Functional Inhibitors of Acid Sphingomyelinase Using a Structure−Property−Activity Relation Model.” J. Med. Chem.. 2008;51(2):219-237.
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.
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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.
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