MDL to be Exclusive Reseller of Chem21 Predictive Software; Computational Tools Predict Bioavailability and Toxicity in Drug Candidates.Business Editors/Health & Medical Writers SAN LEANDRO San Leandro (săn lēăn`drō), city (1990 pop. 68,223), Alameda co., W Calif., on San Francisco Bay; inc. 1872. Metal, wood, and paper products; chemicals; leather goods; foods and beverages; medical equipment; lighting fixtures; and , Calif.--(BW HealthWire)--March 19, 2002 MDL MDL - (Originally "Muddle"). C. Reeve, Carl Hewitt and Gerald Sussman, Dynamic Modeling Group, MIT ca. 1971. Intended as a successor to Lisp, and a possible base for Planner-70. Basically LISP 1.5 with data types and arrays. Information Systems, Inc., the recognized leader in discovery informatics for the life sciences and chemistry in industry and academia, and The Chem21 Group, Inc. have signed an agreement that designates MDL as the exclusive reseller of Chem21 software. This agreement covers three Chem21 software modules for use in modeling, screening, and evaluating the potency, toxicity, and bioavailability bioavailability /bio·avail·a·bil·i·ty/ (bi?o-ah-val?ah-bil´i-te) the degree to which a drug or other substance becomes available to the target tissue after administration. bi·o·a·vail·a·bil·i·ty n. of potential drug candidates. The Chem21 products, 4D-QSAR, 4D-MS, and ADMET/MI-QSAR, allow pharmaceutical companies to accelerate identification of drug candidates that exhibit a spectrum of desired properties leading to a high probability of clinical success. The products use quantitative structure-activity relationships Quantitative structure-activity relationship (QSAR) is the process by which chemical structure is quantitatively correlated with a well defined process, such as biological activity or chemical reactivity. (QSAR QSAR Quantitative Structure-Activity Relationship QSAR Quality System Audit Report QSAR Quality Service Activity Report QSAR Québec Secours Search and Rescue (Canada) ) to model and analyze key biological activities: ADME ADME Absorption, Distribution, Metabolism, and Excretion ADME Association of Destination Management Executives ADME Active Duty Medical Extension (absorption, distribution, metabolism, excretion), toxicity, and therapeutic potency. "The earlier in the discovery process that scientists understand ADME and toxicity properties of compounds, the easier it is for them to focus on those compounds with the greatest potential of becoming drugs," said Lars Barfod, executive vice president and chief business officer of MDL. "We are pleased to offer Chem21's rich set of prediction and modeling capabilities in tandem Adv. 1. in tandem - one behind the other; "ride tandem on a bicycle built for two"; "riding horses down the path in tandem" tandem with MDL's collaborative data analysis and mining tools to help organizations fill their pipelines with more viable drug candidates." "Chem21 is pleased to be associated with MDL and excited at the potential of this partnership," said Anton Hopfinger, chief technical officer and secretary treasurer of Chem21, and a leading expert on computer-aided molecular design. "The reselling arrangement with MDL will extend distribution of our software, providing pharmaceutical and chemical companies with improved access to important tools for accelerating discovery." Clinical failure of drug candidates is often caused by problems related to pharmacokinetics and toxicity. Predictive modeling tools enable companies to identify and reject compounds unlikely to withstand rigorous clinical trials, thus reducing the dropout (1) On magnetic media, a bit that has lost its strength due to a surface defect or recording malfunction. If the bit is in an audio or video file, it might be detected by the error correction circuitry and either corrected or not, but if not, it is often not noticed by the human rate of candidates in the latter, more expensive stages of development, a strategy known as the "fail-early" paradigm. Chem21 software and MDL's broad suite of discovery informatics products, including MDL's Metabolite metabolite, organic compound that is a starting material in, an intermediate in, or an end product of metabolism. Starting materials are substances, usually small and of simple structure, absorbed by the organism as food. (a metabolism information system), Toxicity (a database of toxic properties of chemical substances), and QsarIS (a desktop system for creating predictive models), allow researchers to identify compounds with a higher probability of success. This suite of Chem21 products offers a turnkey solution for the optimal design of drug candidate performance in terms of therapeutic potency and ADME/toxicity properties. 4D-QSAR is used to create and screen against 3D-pharmacophore QSAR models, and can be used in receptor-independent or receptor-dependent modes. 4D-MS computes multiple measures of the molecular similarity of compounds and libraries at the 2D, 3D, and 4D (conformational sampling) levels. ADMET/MI-QSAR permits the estimation of a wide range of ADME and toxicity endpoints based upon the explicit interaction of test compounds with models of cellular membranes and a set of unique property descriptors. About MDL MDL Information Systems ("MDL") is the recognized leader in discovery informatics for the life sciences and chemistry in industry and academia. MDL software, content, and services provide the enterprise-wide discovery informatics framework for comprehensive and successful discovery research. We are an international business headquartered in San Leandro, CA, with offices worldwide. MDL Information Systems, Inc. is a wholly owned subsidiary Wholly Owned Subsidiary A subsidiary whose parent company owns 100% of its common stock. Notes: In other words, the parent company owns the company outright and there are no minority owners. of Elsevier Science, Inc. For more information about MDL, visit www.mdli.com. Note to Editors: MDL is registered trademark in the United States United States, officially United States of America, republic (2005 est. pop. 295,734,000), 3,539,227 sq mi (9,166,598 sq km), North America. The United States is the world's third largest country in population and the fourth largest country in area. of MDL Information Systems, Inc. All rights reserved. |
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