PerkinElmer Lead Discovery for TIBCO Spotfire

PerkinElmer

Introduces New Chemical Intelligence Capabilities for Accelerating the Lead Discovery Process

Lead Discovery for TIBCO Spotfire Software Provides Extensive Chemical Structure Searching & Visualization for Finding Promising Compounds Faster

PerkinElmer, Inc., a global leader focused on improving the health and safety of people and the environment, is introducing the newest version of Lead Discovery for the TIBCO Spotfire software platform. PerkinElmer's Lead Discovery 5.1 enhances the TIBCO Spotfire software data analysis capabilities with new functionality built specifically with chemists in mind. Based on PerkinElmer's industry-leading ChemDraw drawing tool, the chemical intelligence in Lead Discovery provides scientists using TIBCO Spotfire software with extensive chemical structure searching and visualization. Now scientists are able to dynamically filter their experimental data sets by chemical structure and pinpoint promising structural features and scaffolds in the output from their medicinal and combinatorial chemistry programs. The new technology enables users to mine their chemical databases to identify more compounds that have similar chemical structures, broadening their potential pool of candidates based on known properties and shortening their time to discovery of a viable candidate or lead.

In addition to dynamic, structure-based filtering, another key functionality of Lead Discovery 5.1 is that it automatically analyzes and displays R-groups (group side chains in chemical structure diagrams) or substituent variations on similar chemical scaffolds. These chemical variations have significant impact on dose response and side effects as they affect how the molecule interacts with a target. Using the new informatics tool, scientists can quickly isolate the variables to identify and optimize promising compound candidates.

For more information, please see a press release (May 8, 2013).