Major Advancements in LC-MS/MS Software to Speed Compound Assessment in Drug Discovery Announced by Thermo Fisher Scientific

June 05 2007

Chromatography and Mass Spectrometry

Thermo Fisher Scientific Inc., the world leader in serving science, unveils new additions to its LC-MS/MS software suite to reduce the time required to assess and evaluate thousands of new compounds for data review in drug discovery and development laboratories. This solution will be displayed at the downtown Marriott Ballroom 5, daily from 7:00 - 10:00 PM during the 55th Annual ASMS Conference on Mass Spectrometry, June 3-7, in Indianapolis, IN.

Maximize Throughput and Optimize Generic Methods for High Throughput Screening
The integration of Thermo Scientific QuickQuan(TM) software and Aria® TLX System's multiplexing technology accelerates the pace of drug discovery. For laboratories that perform high-throughput screening (HTS), the integrated solution allows scientists to quickly assess thousands of new chemical entity samples in drug discovery research. QuickQuan software performs automated optimization of MS/MS parameters, enabling the rapid analysis of compounds. Analytical parameters can now be sent to Aria software which controls the TLX system, combining automated optimization with multiplexing to offer unmatched throughput for discovery applications such as: metabolic clearance, CACO2, PAMPA, protein binding and in-vivo PK. Data generated from QuickQuan can be seamlessly transferred to the Thermo Scientific Galileo LIMS(TM), enabling rapid data review and informed decision making.

Using the QuickQuan optimization parameters, Aria software controls the pumps to synchronize the introduction of samples to the TSQ Quantum(TM) triple quadruple mass spectrometer and maximize sample throughput. One mass spectrometer with an Aria TLX-4 System can process as many samples as four standalone LC-MS/MS systems. With the Aria multiplexed system, up to four parallel sample presentation channels are synchronized to a single mass spectrometer.

Faster Decisions for Candidate Selection in Early Discovery

Specifically developed for HT-ADME studies that involve data processing of thousands of samples per week, Thermo Scientific QuickCalc(TM) Software powered by GMSU (Gubbs Mass Spec Utilities) reduces the time required to evaluate new compounds for drug development. It enables researchers focusing on in vitro studies to process and review large quantities of data by automatically generating reports and storing the results in a relational database. QuickCalc is a desktop application which typically serves smaller drug discovery labs, bridging the transition towards an enterprise-level data reduction system such as Galileo LIMS(TM).

QuickCalc software automates the assessment of data from HTS by integrating the chromatographic peaks, calculating pharmacokinetic parameters and generating summary reports. Three modules enable researchers to accurately and efficiently process the sample data: the Hepatic Clearance Calculator (for microsomes, hepatocytes, S9), the Permeability Calculator (for CACO-2, PAMPA) and - exclusive to QuickCalc software - the PK Calculator for toxicokinetic parameters. QuickCalc also eliminates the need to manually transfer text files to a second data system such as Microsoft® Excel.

For more information about Thermo Scientific QuickCalc and QuickQuan, please call +1 800-532-4752, e-mail or visit

Thermo Scientific is part of Thermo Fisher Scientific, the world leader in serving science.

About Thermo Fisher Scientific

Thermo Fisher Scientific Inc. (NYSE: TMO) is the world leader in serving science, enabling our customers to make the world healthier, cleaner and safer. With an annual revenue rate of more than $9 billion, we employ 30,000 people and serve over 350,000 customers within pharmaceutical and biotech companies, hospitals and clinical diagnostic labs, universities, research institutions and government agencies, as well as environmental and industrial process control settings. Serving customers through two premier brands, Thermo Scientific and Fisher Scientific, we help solve analytical challenges from routine testing to complex research and discovery. Thermo Scientific offers customers a complete range of high-end analytical instruments as well as laboratory equipment, software, services, consumables and reagents to enable integrated laboratory workflow solutions. Fisher Scientific provides a complete portfolio of laboratory equipment, chemicals, supplies and services used in healthcare, scientific research, safety and education. Together, we offer the most convenient purchasing options to customers and continuously advance our technologies to accelerate the pace of scientific discovery, enhance value for customers and fuel growth for shareholders and employees alike. Visit

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