Leist M, Lidbury BA, Yang C, et al. “Novel technologies and an overall strategy to allow hazard assessment and risk prediction of chemicals, cosmetics, and drugs with animal-free methods.” ALTEX. 2012;29(4):373-388.
COLLEGE PARK, MD, USA and ERLANGEN, Germany, September 21, 2011 – The U.S. Food and Drug Administration (FDA), Center for Food Safety and Applied Nutrition (CFSAN), and Molecular Networks GmbH today announce their scientific collaboration and partnership to jointly develop under a 3-years research collaboration agreement (RCA) the Office of Food Safety’s food additives knowledge base CERES using Molecular Networks’ chemoinformatics platform MOSES.
Piparo EL, Worth A, Manibusan M, et al. “Use of computational tools in the field of food safety.” Regulatory Toxicology and Pharmacology. 2011;60(3):354-362.
Schwab CH. “Conformations and 3D pharmacophore searching.” Drug Discovery Today: Technologies. 2010;7(4):e245-e253.
Hu X, Yan A, Tan T, Sacher O, Gasteiger J. “Similarity Perception of Reactions Catalyzed by Oxidoreductases and Hydrolases Using Different Classification Methods.” J. Chem. Inf. Model.. 2010;50(6):1089-1100.
ERLANGEN, Germany, April 22, 2010 – Molecular Networks GmbH today announces a scientific and business partnership with Thomson Reuters in the area of computer-assisted synthesis
Valerio LG, Yang C, Arvidson KB, Kruhlak NL. “A structural feature-based computational approach for toxicology predictions.” Expert Opinion on Drug Metabolism & Toxicology. 2010;6(4):505-518.
Schuster D, Kern L, Hristozov D, et al. “Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors.” Comb. Chem. & HTS. 2010;13(1):54-66.
Michielan L, Stephanie F, Terfloth L, et al. “Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study.” J. Chem. Inf. Model.. 2009;49(12):2820-2836.
Michielan L, Terfloth L, Gasteiger J, Moro S. “Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates.” J. Chem. Inf. Model.. 2009;49(11):2588-2605.
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