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MDL® Discovery Experiment Management
MDL® Discovery Predictive Science
MDL® Discovery Predictive Science enables the collaborative assessment of compounds and supports decisions throughout a discovery project. It does this through a series of offerings from MDL, including data analysis and visualization tools and chemically intelligent content, and through third-party statistical analysis, predictive modeling, and ADME simulation tools.iDEA®: ADME simulation and prediction system
MDL® ISIS for Excel: Spreadsheet access to structures and data
MDL® Metabolite Database: Metabolism information system
MDL® Report Manager: A comprehensive reporting tool for biological and chemical data
MDL® QSAR: Comprehensive QSAR modeling system
MDL® Sculpt: 3D structural visualization and analysis
MDL® Toxicity Database: Toxic properties of chemical substances
Partek® Pro: Statistical and visual analysis software
RTECS®: The Registry of Toxic Effects of Chemical Substances
MDL products (listed above) for early ADMET assessment are discussed in recent articles on the discovery and selection of compounds active against brain tumors (see ADMET reprint) based in part on a predictive model for the partitioning of compounds across the blood-brain barrier (see BBB model reprint):
ADMET reprint From Molecular Connection—Summer 2002 (PDF: 192K / 2 pages)
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