Structure-Activity Relationship (QSAR) Toxicity Models for CFSAN Regulatory Activities . The FDA and Multicase will work jointly under this 5-year Research Collaboration Agreement... (RCA) to use Multicase s software and scientific expertise and CFSAN s scientific expertise to develop QSAR toxicity models for CFSAN regulatory activities. These models... will provide scientific information to support the pre- and post-market evaluation of the safety of food additives and other substances within the jurisdiction of CFSAN. The models...

safety evaluation requirements and also to take advantage of fast developing computer platform specifications. It gives us the ability to quickly address the scientific and technical.... Following are some major features of the new program: 1. Ability to use larger (> 50,000 chemicals) training sets to build expert system models. 2. A new statistical engine... specially suited for learning from larger data sets. 3. Enhanced set of QSAR descriptors. 4. Better QSAR model building techniques with stringent validation processes and flexibility...

. Fathead minnow Environmental Toxicology and Chemistry 2000, 19,441-447. Saiakhov, R. D., Stefan, L. R., and Klopman, G. Multiple computer-automated structure evaluation model..., J.M., Saiakhov, R.D., ESP: A Method to Predict Toxicity and Pharmacological Properties of Chemicals using Multiple MCASE Databases, J. Chem. Inf. Comput. Sci.,2004, 44(2), 704... system. SAR QSAR Environ. Res., 2003, 14(2), 165-180. Sedykh A, Saiakhov R, Klopman G. META V. A model of photodegradation for the prediction of photoproducts of chemicals under...

for theEvaluation of Drug Safety . The FDA and MultiCASE Inc. will work jointly under this 5-year research collaboration agreement (RCA) to develop and improve new and existing in silico models... for use as decision support tools in drug safety assessment.These models will assess the safety of drug candidates at toxicological and clinical endpoints of regulatory relevance...] [AboutUs] Send mail to saiakhov@multicase.com with questions or comments about this web site. Copyright 2013 Multicase Inc Last modified: 02/13/13 MultiCASE MC4PC-based computational...