KnowItAll Metabolomics Edition Software

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Overview

How the KnowItAll Interface Works

The KnowItAll interface is designed so the user can transfer information from one tool to another, and move from one task to the next, without having to leave the main interface or open another program.

Multiple tasks are performed using logically grouped "toolboxes." Because all the tools are located in a single, integrated environment, using this system will invariably save time and improve workflow.

Ultimately, by combining tools and data into one system, the end result is greater ability to extract knowledge from data.

KnowItAll Awards

Bio-Rad's KnowItAll Informatics System provides scientific researchers multiple informatics solutions including database building, management, search, analysis, prediction, structure drawing, and reporting, all within a single user interface. Specialized editions of this system are available for spectroscopy, chemistry, in silico ADME/Tox, and most recently, metabolomics research.

The KnowItAll Informatics System has received many prestigious awards since its launch in 2001.

July, 2008 Scientific Computing's 2008 Readers' Choice Gold Award for Chemistry Software
July, 2008 Scientific Computing's 2008 Readers' Choice Silver Award for Spectroscopy Software
July, 2007 Scientific Computing's 2007 Readers' Choice Silver Award for Spectroscopy Software
August, 2006 Scientific Computing's 2006 Readers' Choice Gold Award for Spectroscopy Software
August, 2006 Scientific Computing's 2006 Readers' Choice Silver Award for its Cheminformatics Software
2006 Received Bio-IT Magazine Top 50 Life Science Firms Award
December, 2005 Received Scientific Computing's Spectroscopy 2005 Product of the the Year Award
August, 2005 Frost & Sullivan's 2005 Market Leadership Award for Drug Discovery Technologies for KnowItAll ADME/Tox
August, 2005 Frost & Sullivan's 2005 ADME/Tox Informatics Product Innovation Award
August, 2005 Finalist for spectroscopy software inScientific Computing's 2005 Readers' Choice Awards
March, 2005 Scientific Computing's Top Products of 2004 Award for KnowItAll ADME/Tox in the category of data management
August, 2004 Recognized as one of the 100 most technologically significant new products of 2004 by R&D Magazine
August, 2004 Scientific Computing's winner of the 2004 Readers Choice Award (Spectroscopy Software Category)
October, 2003 Frost & Sullivan's 2003 ADME/Tox Informatics Product Differentiation Innovation Award
August, 2003 Recognized as one of the 100 most technologically significant new products of 2005 by R&D Magazine
July, 2003 Scientific Computing's winner of the 2003 Readers' Choice Award (Spectroscopy Software Category)
July, 2002 Scientific Computing's winner of the 2002 Readers' Choice Award (Spectroscopy Software Category)
July, 2001 Scientific Computing's winner of the 2001 Readers Choice Award (Spectroscopy Software Category)

Here are just a few of the thousands of companies and institutions who use our software and databases:

  • 3M
  • Abbott Laboratories
  • Agfa-Gevaert
  • Airbus S.A.S.
  • Akzo Nobel
  • Alstom
  • Arcelor Mittal
  • ATF (U.S. Bureau of Alcohol, Tobacco and Firearms)
  • Avon Products, Inc.
  • AstraZeneca
  • Baker Hughes Incorporated (Baker Petrolite)
  • Banque de France
  • Battelle Memorial Institute
  • Baxter Healthcare
  • Bayer AG
  • Boeing
  • Boehringer Ingelheim
  • Borealis AB
  • BP (British Petroleum)
  • Bristol-Myers Squibb
  • California Institute of Technology
  • CEA (Commissariat à l'énergie atomique)
  • Ciba SC
  • Clariant
  • CNES (Centre National d' Etudes Spatiales)
  • CNRS (Centre National de Recherche Scientifique)
  • Columbia University
  • Condat
  • Cornell University
  • Danisco A/S
  • Dartmouth College
  • DSTL (Defence Science and Technology Laboratory)
  • Degussa GmbH
  • Delphi Corporation
  • Department of National Defense Canada
  • Deutsche BP
  • Dial Corporation
  • DSM
  • Duke University
  • Dupont
  • Durapipe UK
  • EADS Astrium
  • Eastman Chemical Company
  • École des Mines de Paris
  • Eli Lilly & Company
  • Eisai
  • Ethicon
  • Eurocopter
  • Exxon Mobil Corporation
  • FBI (U.S. Federal Bureau of Investigation)
  • FDA (U.S. Food & Drug Administration)
  • Forensic Science Service Ltd.
  • F.Hoffmann-La Roche Ltd
  • Georgetown University
  • General Electric
  • GlaxoSmithKline
  • Goodyear Tire & Rubber Company
  • Harvard University
  • Henkel KGaA
  • Hewlett Packard
  • Honeywell International Inc
  • IBM (International Business Machines Corporation)
  • Imperial College London
  • INPS (Institut National de Police Scientifique)
  • Intel Corporation
  • Intertek Group
  • IPSEN
  • IRCG (Institut de Recherche Criminelle de Gendarmerie)
  • Johnson & Johnson
  • Kodak
  • Kraft Foods Inc.
  • Laboratoire des Douanes
  • Laboratoiries Pierre Fabre
  • Laboratory of the Government Chemist UK
  • Lawrence Livermore National Laboratory
  • L'OREAL
  • Los Alamos National Laboratory
  • Merck & Co., Inc.
  • Michelin Group
  • Millennium Chemicals
  • Massachusetts Institute of Technology
  • Motorola, Inc.
  • National Aeronautics and Space Administration (NASA)
  • National Institute of Health (NIH)
  • National Research Council of Canada
  • Nestle
  • Novartis Pharmaceuticals
  • Novo Nordisk A/S
  • Pfizer Inc
  • Philips
  • Phillip Morris
  • Princeton University
  • Procter & Gamble
  • Reading Scientific Services Ltd.
  • Reckitt Benckiser
  • Renault
  • RCMP (Royal Canadian Mounted Police)
  • R.J. Reynolds Tobacco Company
  • Saint-Gobain
  • Sandia National Laboratories
  • Sanofi Pasteur
  • Schering-Plough
  • SC Johnson
  • Shell Chemicals Limited
  • Sherwin-Williams Company
  • Siemens AG
  • Snecma
  • Solvay S.A.
  • Sonoco
  • Sony Corporation
  • Stanford University
  • Sun Chemical Corporation
  • Takeda Pharmaceutical
  • Total S.A.
  • Unilever
  • Uniqema (part of the Croda Group)
  • United States Air Force
  • United States Army
  • United States Customs Service
  • University of California
  • University of Pennsylvania
  • Valeo
  • Volkswagen
  • WL Gore & Associates
  • Wyeth
  • Yale University

Software Solution for NMR-Based Metabolomics

The KnowItAll Informatics System, Metabolomics Edition covers the full range of steps from raw data processing to biomarker identification. By combining spectroscopic, cheminformatics, and chemometrics tools, with a resource of metabolic pathways, KnowItAll allows researchers to analyze and manage clinical/biological data in the search for relevant biomarkers.

Enlarge Workflow

Featured Users
  • Duke University
  • Imperial College London
  • Ohio State University
  • Princeton University
  • University of Maryland
  • University of Missouri
  • Université Paul Sabatier

Click below to learn more about each about each specific feature or view demo movie giving a brief tour of the edition.

Tool Description Demo Movie
Spectral Processing Toolbox
ProcessIt NMR NMR spectrum processing Demo
Spectral Analysis Toolbox
AnalyzeIt MVP Discover prominent factors in chemical, analytical, and biological data Demo
Database Projection Project metabolites into a spaced defined by sample PCA; feature in AnalyzeIt MVP Demo
ValidateIt Statistical model validation Demo
Data Included
NMR Metabolite Database A database of CNMR and HNMR spectra of proteins, peptides, and nucleic acids
Data Toolbox
SearchIt Database searching (full NMR spectrum, structure, peak, property, etc.) Demo
See more search demos
MineIt Database display and mining Demo
Database Building Build multi-technique databases with spectra and structures Demo
Overlap Density Heatmap Patented visual datamining and analysis Demo 1
Demo 2
Pirouette Model Support Use models built in Infometrix Pirouette software
Batch Property Calculation Calculate properties for entire databases
CompareIt Data plotting and visualization Demo
AssignIt NMR Add assignments to NMR databases for proton, C-13, and other nuclei Demo
Basics Toolbox
DrawIt 2D chemical structure drawing (includes stereochemical recognition) Demo
ReportIt Custom publishing tools Demo 1
Demo 2
BrowseIt Portal with useful links for KnowItAll users
Optional Solutions
KnowItAll Enterprise Solutions Centralize spectral and chemical information on the KnowItAll server
Pirouette Software Additional chemometrics tools from Infometrix and multivariate regression
Upgrade Plan Support and upgrade plan for KnowItAll users
Spectral Databases See our comprehensive spectral database solutions

* Please note that there may be slight differences between demo movies and the KnowItAll software depending on the version of KnowItAll used to create the demo movie.

Literature
Number Description Options
INF-95933 KnowItAll - Metabolomics Edition Brochure Click to download
INF-96552 KnowItAll - Metabolomics Edition Flier Click to download
INF-96558 KnowItAll - Metabolomics Workflow for NMR Click to download
INF-95931 Application Note: Understanding Metabonomics Mixtures with PCA Click to download
INF-95932 Application Note: Toward Diagnosis of Diabetes by NMR and Multivariate Analysis Click to download
INF-95021 Application Note: Overlap Density Heatmaps: A Novel Approach to Metabolomics Research Click to download
INF-Sci_Poster_017 Poster: Pushing the Limits of Metabolite Biomarker Identification - SMASH CONFERENCE 2007 Click to download
INF-Sci_Poster_003 Poster: KnowItAll Informatics System: A Seamlessly Integrated Working Environment For NMR-Based Metabolomics Analysis - METABOLOMICS SOCIETY CONFERENCE 2006 Click to download
INF-Sci_Poster_005 Poster: Biomarker Identification Combining Multivariate Analysis of NMR Spectra with an Innovative Spectral Data Analysis Approach in an Integrated Working Environment - ADVANCES IN METABOLIC PROFILING CONFERENCE 2006 Click to download
INF-Sci_Poster_006 Poster: Fixed-Width Binning, Variable-Width Binning or No Binning: A Study of Different Binning Methods in NMR-Based Metabolomics Analysis - METABOMEETING 3 CONFERENCE 2006 Click to download
INF-Sci_Poster_009 Poster: Achieve Class Separation, NMR-Based Metabolomics - CAMBRIDGE HEALTH INSTITUTE BIOMARKER CONFERENCE 2007 Click to download
INF-Sci_Poster_014 Poster: Overlap Density Heatmaps: A Novel Method For Visualizing and Evaluating The (Dis)Similarity Among Multiple Spectra - METABOLOMICS SOCIETY CONFERENCE 2006 Click to download
INF-Sci_Poster_016 Poster: New Development in an Integrated System for NMR-Based Metabolomics Analysis - SMASH CONFERENCE 2007 Click to download
INF-Sci_Poster_020 Poster: An Integrated Software Environment for NMR-Based Metabolomics Data Analysis - Leap to Biomarker Identification from PCA - METABOLOMICS SOCIETY CONFERENCE 2007 Click to download
INF-Sci_Poster_024 Poster: Automated Identification of Metabolite Biomarkers by Combining Database Search and Projection Analysis in an Integrated Software System - ENC CONFERENCE 2008 Click to download
INF-Sci_Poster_025 Poster: New Developments in an Integrated System for NMR-Based Metabolomics Analysis - Analytica CONFERENCE (Metabolomics) 2008 Click to download
INF-Sci_Poster_027 Poster: Practical Information Extraction Process in NMR-based Metabolomics - METABOMEETING 4 CONFERENCE 2008 Click to download