KnowItAll 4.1 Offers a Pioneering Tool to Visualize and Compare Pharma Data
Bio-Rad Laboratories, Inc. is pleased to announce the addition of the CompareIt™ application to version 4.1 of its KnowItAll® Informatics System. Pharmaceutical researchers can use this tool to visualize and compare numeric data between multiple databases. Within pharmaceutical research, comparisons are regularly needed across different research datasets in order to compare predicted values to experimental laboratory results and visualize the relationships between different experimental values between datasets.
Using the CompareIt application, users can select any two property fields from multiple databases for comparison. For example, a researcher might choose to compare ADME response data (e.g., Blood-Brain Barrier) to molecular physical property data (e.g., Polar Surface Area, logP, etc.) or to other ADME response data (e.g., Human Intestinal Absorption). Once the researcher selects the fields to be compared, the CompareIt application generates a scatter-plot diagram of one variable versus the other. Selecting any point or group of points will immediately display the compounds associated with that record, with an easy pop-up view of all the data associated with the compound. From this scatter plot comparison, the researcher can visualize trends and segregate data that follows a desired trend from that which does not. The data input for this application can be either KnowItAll user-generated or reference databases containing experimental data, calculated results, or both. The CompareIt application is fully integrated with all other applications in the KnowItAll environment, including searching, reporting, and prediction.
“The CompareIt application is provides a simple-to-use datamining and data visualization tool for researchers in drug discovery,” stated Michelle D’Souza, Ph.D., Medicinal Chemistry Software Product Manager. “The innate chemical intelligence, ease of data input, and ease of use of CompareIt put this product in a category by itself.”
The CompareIt application is part of Bio-Rad’s award-winning KnowItAll Informatics System, a complete ADME/Tox prediction system, including the largest single collection of pre-built, “global” prediction models, tools to build models using proprietary user-generated data, powerful validation tools to verify models, and integrated tools for structure drawing, database management, datamining, and reporting.
About ADME/Tox
Within drug discovery and development, most potential drug compounds fail ultimately as commercial drugs because of problems associated with their Absorption, Distribution, Metabolism, Excretion, or Toxicity (ADME/Tox). By ranking the ADME/Tox profiles of multiple drug candidates, potential failures can be identified sooner and potential blockbusters can be advanced faster in the drug discovery process.
About Bio-Rad
Bio-Rad’s Informatics Division (www.informatics.bio-rad.com ) specializes in state-of-the-art software and database solutions for the pharmaceutical, biotech and chemical industries. Bio-Rad is the leading publisher of fully verified spectral databases, cheminformatics, spectroscopy software, and decision support systems for drug discovery. The company’s award-winning KnowItAll Informatics System offers a fully integrated environment with flexible, expandable software and database solutions for spectroscopy (MS, NMR, IR, Raman, spectral data management), cheminformatics, and ADME/Tox prediction.
Bio-Rad Laboratories, Inc. (www.bio-rad.com ) is a multinational manufacturer and distributor of life science research, clinical diagnostics and informatics products. It is based in Hercules, California, and serves more than 70,000 research and industry customers worldwide through a network of more than 30 wholly owned subsidiary offices.
