Tripos Introduces Complete Laboratory Workflow and Knowledge Management Solutions
"Our new laboratory workflow and knowledge management offerings really are tried-and-tested solutions," said Dr. John P. McAlister, president and chief executive officer of Tripos. "Developed initially in response to customers' requests, these systems proved so effective that we implemented many of them ourselves at our Tripos Receptor Research facility in Bude, England. Now customers who employ our lead screening and optimization services benefit from the improved workflow and knowledge-sharing that these products provide."
Tripos' new laboratory workflow system, comprising ChemCoreRIO, ChemCoreREG and the Tripos Electronic Notebook, is built on Oracle, the industry-standard data management system. Key to its success, however, is the AUSPYX(TM) data cartridge which enables Oracle to process chemical structures just like any other pieces of data.
As its name suggests, ChemCoreRIO is a registration, inventory and ordering system for chemical and biological data. It's a very flexible system that allows scientists to enter single compounds or entire libraries using the ChemCoreRIO forms-based user interface or the Tripos Electronic Notebook interface. This module helps companies order and track reagents and also manage samples as they move through the discovery workflow. It can locate and order reagents, create purchase orders, and record sample registration and disposal; it can also integrate with bar-code systems.
ChemCoreREG is an entry-level registration system that can track single reagents or entire collections. It can assign reagent identification numbers, calculate properties (e.g., molecular weights), handle multiple batches, manage multiple names for single structures, and perform queries and searching functions.
The Tripos Electronic Notebook can be used to streamline tasks as well as record results. It can also support a customer's process of becoming 21 CFR Part 11-compliant. Notebook data can be quickly stored, searched and reused; tasks can be initiated with a single mouse click; routine calculations (such as yields and molecular weights) can be automated; and a hard copy of all the data can be generated at the end of the experiment if necessary. Scientists can enter experimental details such as the reaction, apparatus, methods and results in a standard template or customize a page to include details about biological assay development and screening. Experimental data can be retrieved by searching for any combination of data types, including starting materials, products, reactions, researcher name, experiment title, project, date and yield.
LITHIUM and SARNavigator, Tripos' data-analysis and decision-support tools, help drug discovery team members to visualize data in new ways. LITHIUM allows them to display 3-D molecular models easily on their desktop computers, thus facilitating knowledge-sharing and discussion within the group. LITHIUM is fully integrated with the Windows environment and uses its familiar user interface.
Conversely, SARNavigator is a stand-alone spreadsheet application that allows team members to view complex structure-activity relationship (SAR) landscapes in 2-D. A SAR analysis compares a molecule's structure with its ability to affect a biological system. SARNavigator routinely handles more than 100,000 compound datasets. And, most important, it allows researchers to identify and prioritize chemical series for secondary screening, based on primary high-throughput screening data.
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