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MDL Launches Innovative Decision Support Solution for Drug Discovery.

Business Editors/Health/Medical Writers

SAN LEANDRO, Calif.--(BUSINESS WIRE)--May 21, 2003

MDL(R) Decision Manager Enhances Data Analysis, Lead Optimization,

and Multidisciplinary Collaboration in Drug Discovery Projects

MDL Information Systems, Inc. (MDL(R)) announces the release of MDL Decision Manager -- a new, scientifically intelligent decision support system for drug discovery researchers engaged in lead selection, validation, and optimization. MDL Decision Manager lets scientists assemble and share data from many sources; analyze data visually using property-based, structure-based, statistical, and chemical rules sets; and apply analysis results as new queries against data repositories to find similar compounds -- all interactively through a common, collaborative project workspace.

"MDL Decision Manager is the decision support centerpiece around which MDL is building a new discovery informatics solution that emphasizes multidisciplinary team collaboration in target-oriented pharmaceutical discovery," said Dr. Seth Pinsky, senior vice president, research and development, and chief technology officer at MDL. "This new solution gives project team members access to the data and computational tools they need to increase the quality of compounds in the pipeline, prioritize lead compounds early, make sound decisions sooner, and move projects forward in a collaborative, efficient discovery environment."

Access the best discovery tools

MDL Decision Manager is the centerpiece of a comprehensive decision support solution that allows researchers to leverage, through a single interface, the best MDL offerings, including:

-- Database products (e.g., MDL(R) Toxicity Database, MDL(R)

Metabolite Database, MDL(R) Drug Data Report, MDL(R)

Comprehensive Medicinal Chemistry)

-- MDL(R) QSAR (a turnkey modeling system for establishing

reliable quantitative structure-activity relationships)

-- MDL(R) Chemistry Rules Interface (enabling manipulation of

chemical structures in MDL(R) ISIS)

The system also enables researchers to access in-house or 3rd-party applications such as:

-- Pipeline Pilot(TM), the innovative data analysis and mining

tool from SciTegic(R)

-- Data processing, analysis, and visualization products for the

life sciences from Partek(R)

-- Other "Best in Class" calculation algorithms on

decision-making endpoints

MDL Decision Manager provides the informatics infrastructure for this flexible product suite, making it possible for pharmaceutical research teams to collect measured, derived, and in silico data in a common project database and perform analyses using integrated filtering and computational tools, data visualizations, and a shared decision-tree tracking system to:

-- Discover and analyze structure-activity relationships

-- Prioritize compounds based on optimal properties

-- Make decisions in a project team environment with all

resources available, displayed in context, through a

synchronized central workspace

Collaborate effectively in a shared workspace

MDL Decision Manager enables researchers to retrieve compounds and data from multiple files and databases, storing source structures, data, and intermediate results in a common project database. This enables individual team members to work privately on their parts of a project, submitting working hypotheses or other results, along with supporting data, for team review or other action in accordance with workflow demands. For example, biologists can add the latest screening data to the project database with a single mouse click, making it immediately viewable to medicinal chemists who may then make theoretical structural changes to increase efficacy on a target. These changes can be submitted to the MDL Decision Manager workspace where biology and toxicology team members can review the structural changes for bioavailability and toxicity concerns and note their findings. Project leads in biology and chemistry can log on at any time to assess project status and direction.

Formulate and test hypotheses

Working within MDL Decision Manager, researchers can interactively view data and structures at various levels of detail (e.g., data in histograms, scatter plots, bar charts, or spreadsheets; chemical structures in structure grids) and sort items using industry-, company-, and project-specific filters. Researchers can employ MDL Decision Manager's built-in calculation programs or directly access third-party calculators to further formulate, test, and refine important structure-based hypotheses. For example, researchers can use SciTegic's Pipeline Pilot(TM) to develop workflow protocols, sharing them with colleagues who may subsequently access and run them within the MDL Decision Manager workspace.

Researchers using MDL Decision Manager can also apply analysis results as a query against a source database, thereby revealing new data, compounds, or structures that satisfy or validate a given hypothesis. New hits and leads often arise from this integrated type of analysis.

"MDL Decision Manager speeds the capture, visualization, analysis, and use of data; facilitates the formulation and testing of structure-based hypotheses; and promotes information exchange within research organizations," said Dr. Mark Surles, director of predictive science at MDL. "This powerful combination of collaborative data management and decision-making resources makes MDL Decision Manager an electronic forum where cross-functional teams can work together to increase drug discovery productivity."

Discovery research organizations interested in evaluating or implementing MDL Decision Manager as an effective solution for scientific data management, interactive analysis, and multidisciplinary collaboration may contact their local MDL sales representative or submit a request for information using the "Contact Us" form available at

About MDL

Over 1,000 life science companies supercharge their discovery engines with MDL software solutions to generate fresh ideas and make breakthrough discoveries. By synchronizing and streamlining the sharing and management of vital information and knowledge, we enable scientists to work more efficiently and invent drugs faster. This saves time, money, and lives. In support of our customers and the momentous challenges they face, everything we do must be reliable, resourceful, innovative, and insightful. We are an international business headquartered in San Leandro, CA with offices worldwide. MDL is a wholly owned subsidiary of Elsevier Inc., the science and medical division of the Reed Elsevier Group plc, owned by Reed Elsevier PLC (NYSE:RUK) and Reed Elsevier NV (NYSE:ENL). For more information, visit

Note to Editors: MDL is a registered trademark and "Powering the Process of Invention" is a trademark of MDL Information Systems, Inc. in the United States. Partek is a registered trademark of Partek, Incorporated. SciTegic is a registered trademark and Pipeline Pilot is a trademark in the United States of SctTegic, Inc. Elsevier is a registered trademark in the United States of Reed Elsevier US Holdings Inc., and of Reed Elsevier NV in other countries. All other company and/or product names may be trademarks or registered trademarks of their respective owners in the United States and other countries. All rights reserved.
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Publication:Business Wire
Geographic Code:1USA
Date:May 21, 2003
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