Accelrys Announces the Release of TOPKAT 6.2

Accelrys Inc., a wholly owned subsidiary of Pharmacopeia, Inc. (NASDAQ: ACCL), today announced the commercial availability of TOPKAT 6.2, the company’s leading software tool for predicting the toxicity of potential drug compounds. TOPKAT’s toxicity models can now be used with large 100,000-plus data sets for virtual high-throughput screening and library design, helping to identify toxicity problems at the identification and optimization stages of the drug development process. An estimated 40% to 60% of drug failures at the clinical trial stage are directly attributed to negative pharmacokinetic characteristics such as absorption, distribution, metabolism, elimination (ADME) and toxicity issues. Predicting the likelihood of these issues early in the drug discovery process can help reduce the occurrence of later stage failures.

“The industry need tools like these for making better decisions earlier in the drug discovery process,” said Dr. Scott Kahn, chief science officer, Accelrys. “By reducing the number of failures and the associated costs, TOPKAT’s high-throughput capacity and leading edge methodology can help scientists focus their efforts on those drug candidates most likely to succeed.”

TOPKAT 6.2

TOPKAT 6.2 can process large data sets with any of its 16 toxicity models, which include Ames Mutagenicity, Rat Oral LD50, FDA Carcinogencity, Developmental Toxicity, etc. TOPKAT utilizes Quantitative Structure Toxicity Relationships (QSTR) which provide statistically significant toxicity assessment and a superior methodology for quickly and accurately processing large lists in TOPKAT Batch. TOPKAT also utilizes a patented toxicity assessment methodology – Optimum Predictive Space – for assuring that compounds are well represented in the toxicity models as well as a database similarity search capability for assisting in results assessment.