Predictive Toxicology - DS TOPKAT

A QSAR-based system generates and validates accurate, rapid assessments of chemical toxicity solely from a chemical's molecular structure. Unique among SAR-based technologies, DS TOPKAT uses robust, cross-validated models based on experimental data of highly consistent protocol. The models are subjected to extensive diagnostics for accuracy and validity. And only DS TOPKAT uses patented Optimum Prediction Space (OPS) technology to assure that the compounds under investigation are well represented in the models. Included within DS TOPKAT are tools that allow you to easily build molecules or queries from available fragment libraries. DS TOPKAT can be used for tests including physical/chemical, environmental fate, ecotoxicity, toxicity, mutagenicity, and subchronic reproductive/developmental. DS TOPKAT is fast, cost-effective, and proven. DS TOPKAT Models iinclude:

Rodent Carcinogenicity Ames Mutagenicity Rat Oral LD50 Rat Chronic LOAEL Developmental Toxicity Potential Skin Sensitization Fathead Minnow LC50 Daphnia Magna EC50

Weight of Evidence Rodent Carcinogenicity Rat Maximum Tolerated Dose Aerobic Biodegradability Eye Irritancy Log P Rabbit Skin Irritancy Rat Inhalation Toxicity LC50 Rat Maximum Tolerated Dose

Accelrys has recently signed collaborations with the Bioinformatics and Molecular Design Research Center ( BMDRC ) headed by Dr. No at Yonsei University in Seoul Korea and the Drug Discovery and Design Center ( DDDC ) headed by Dr. Jiang at the Shanghai Institute of Materia Medica (SIMM), Chinese Academy of Sciences (CAS) in Shanghai, China to update and enhance this offering.