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Below is a complete PDF library for Bio-Rad's software and database solutions for spectroscopy (IR, Raman, NIR, NMR, MS, UV-Vis), chemometrics, metabolomics, and ADME/Tox. Visit the Bio-Rad website for additional product information.

Spectroscopy Database & Software Catalog Spectral Databases KnowItAll Software KnowItAll Training KnowItAll Enterprise Solutions KnowItAll Academic Solutions

Application Notes Articles Posters Installation Guides ADME/Tox Chemometrics Metabolomics

Spectroscopy Database & Software Catalog

Bio-Rad is a world leader in spectral data and software. The catalog below provides an entire overview of their spectral database collections of IR, Raman, NIR, NMR, MS, UV-Vis spectra and their award-winning KnowItAll software for database building, management, search, analysis, prediction, chemometics, structure drawing, reporting, and more.

• English Catalog
• Catalogue Français
• Deutscher Katalog
• Catálogo em Português
• Catálogo en Español
• Chinese Catalog

Spectral Databases

Bio-Rad offers over 1.3 million IR, MS, NMR, NIR, Raman, and UV-Vis spectra—from pure compounds to a broad range of commercial products. These resources are ideal for the interpretation, verification, and classification of spectra.

Choose from individual collections or comprehensive HaveItAll databases.

KnowItAll Software

Bio-Rad's award-winning KnowItAll Informatics System offers fully integrated software and/or database desktop solutions that provide scientific researchers multiple tools such as database building, management, mining/search, analysis, prediction, structure drawing, and reporting, all within a single user interface.

KnowItAll Training

• KnowItAll Software Training for Infrared Users - October 14, 2010
• KnowItAll Software Training for Infrared Users - March 12, 2011 (at Pittcon)
• KnowItAll Training Options
• KnowItAll Demo Movies

KnowItAll Enterprise Solutions

• KnowItAll - Enterprise Solutions for Spectroscopy
• KnowItAll - Enterprise Solutions for Spectroscopy - an IT Perspective

KnowItAll Academic Solutions

• KnowItAll U (Brochure)
• KnowItAll U (Brief Overview)
• KnowItAll U ChemistryWorld Software Review
• KnowItAll - Academic Edition

ADME/Tox

• KnowItAll - ADME/Tox Edition
• HaveItAll - ADME/Tox Experimental Databases
• KnowItAll - Optimizing In Silico ADME/Tox: A Flexible Approach

Predictive Models

• Bioavailability (Strand Genomics)
• Blood-Brain Barrier Permeability (ChemSilico)
• Elimination Half Time (Strand Genomics)
• Human Intestinal Absorption (ChemSilico)
• KnowItAll - Rule of Five Predictive Models
• Log D (ChemSilico)
• Log P (ChemSilico)
• Log P (Syracuse Research)
• Mutagenicity (Ames Test) (ChemSilico)
• Plasma Protein Binding (ChemSilico)
• Plasma Protein Binding (Strand Genomics)
• Rate of Absorption (Strand Genomics)
• Volume Distribution (Strand Genomics)
• Water Solubility (ChemSilico)
• Water Solubility (Syracuse Research)

Chemometrics

• KnowItAll - AnalyzeIt MVP (Brochure)
• KnowItAll - AnalyzeIt MVP (Brief Overview)
• Chemometric Models in KnowItAll
• Infometrix' Pirouette Features
• Infometrix' Pirouette Specifications

Metabolomics

• Metabolomics Edition (Brochure)
• Metabolomics Edition (Brief Overview)
• Metabolomics Workflow for NMR

Application Notes

Spectroscopy

• Validation of ATR Correction and Reverse ATR Correction Algorithms in the KnowItAll Informatics System
• Identification of Polymeric Samples - FT-IR and Sadtler Database Search: An Example
• Multi-Technique Spectral Searching in KnowItAll
• Sample Preparation for IR Spectra - Liquids & Solids
• Sample Preparation for IR Spectra - Liquid Samples
• Sample Preparation for IR Spectra - Film Technique
• Search Strategies for IR Spectra - Normalization and Euclidean Distance vs. First Derivative Algorithm.
• Search Strategies for IR Spectra - Recognizing Problems and Improving the Intelligence of the Search Algorithms
• Search Strategies for IR Spectra - Increasing the Information of the Search Results
• Search Strategies for IR Spectra - Searching ATR Spectra against Transmission Data
• Search Strategies for IR Spectra - Why Bother Looking Beyond the First Hit? It's the First Hit - It Must Be Right
• Spectroscopic Mixture Deconvolution
• Case Study: Selection and Implementation of a Global FT-IR Database
• Identification of a Pharmaceutical Tablet's Origin Using FT-Near-IR and Principal Component Analysis

ADME/Tox

• The Competitive Edge of ADME/Tox in KnowItAll Informatics System

Chemometrics

• Characterizing Products from a Refinery by GC and Principal Components Analysis
• Discriminating Mycobacterial Strains by LC and Multivariate Analysis
• Monitoring a Chemical Reaction with Raman Spectroscopy and Multivariate Analysis
• Multivariate Analysis of Hit Lists from Spectral Searches

Metabolomics

• Toward Diagnosis of Diabetes by NMR and Multivariate Analysis
• Understanding Metabonomics Mixtures with PCA
• Overlap Density Heatmaps: A Novel Approach to Metabolomics Research

Articles

Reprints

• In silico ADME-Tox prediction: The more, the merrier (Current Drug Discovery, May 2004)
• A New Approach to Simultaneous Raman and IR Spectral Searches (Spectroscopy Magazine, June 2005)
• Data Management in the Spectral Laboratory (International Labmate, April 2004)

Other Articles

• Extended Grunwald-Winstein Analysis - LFER Used to Gauge Solvent Effects in p-Nitrophenyl Chloroformate Solvolysis (International Journal of Molecular Sciences. 2008; 9(11):2231-2242). This study uses KnowItAll Informatics software.
• Extracting Relevant Information from FDA Drug Files to Create a Structurally Diverse Drug Database Using KnowItAll (Pharma Reviews; 2009, Vol. 7 Issue 3).
• On the Importance of the Aromatic Ring Parameter in Studies of the Solvolyses of Cinnamyl and Cinnamoyl Halides (Organic Chemistry International, 2010, 1305061-1305069)
• Preserving A Legacy - Traude Sadtler Fights to Keep Alive the Memory of Three Generations of Chemists (Chemical & Engineering News, August 4, 2008).
• Raising a Red Flag: Deficiencies Found in the Reporting of Important Parameters in FDA Approved Drug Profiles (Pharma IQ, 2010, 2850)
• Structure Activity Relationship (SAR) patterns observed within a series of unrelated common consumer drugs (Bioinformatics, Computational Biology, Genomics, and Cheminformatics; 2009, 1-6)
• Structure Activity Relationships (SARs) Using a Structurally Diverse Drug Database: Validating Success of Predictor Tools(Pharma Reviews; 2009, Vol. 7 Issue 5).

Posters

Spectroscopy / Chemometrics

• Characterization of Spectra and Other Analytical Data via Combination of Two Methods: Multivariate Processing and Overlap Density Heatmap Visualization - ANALYTICA CONFERENCE 2008
• A Novel Method of Analyzing Spectral and Chromatographic Data - FACSS CONFERENCE 2007
• A New Approach for Spectral and Chromatographic Analyses and its Various Applications - ACS FALL CONFERENCE 2006
• New Approach for Spectroscopic Analysis Applied to Infrared Spectroscopy - FACSS CONFERENCE 2006
• Overlap Density Heatmaps: A Novel Method For Visualizing and Evaluating The (Dis)Similarity Among Multiple Spectra - METABOLOMICS SOCIETY CONFERENCE 2006

Spectroscopy (KnowItAll U)

• New Spectroscopy Reference Tool for Academic Research and Teaching - FACSS CONFERENCE 2007
• Spectral Resources from Handbooks To Digital Libraries To On-Line Collaboration KnowItAll U - ACS REGIONAL WEST CONFERENCE 2007

ADME/Tox

• Analysis of SAR Patterns Observed Within a Series of Common Consumer Drugs - ACS SPRING CONFERENCE 2008
• In Silico Drug Evaluation Technology Utilizing FDA Consumer Drug Information Files - Part I: Data Collection - ACS SPRING CONFERENCE 2007

Metabolomics

• New Developments in an Integrated System for NMR Based Metabolomics Analysis - ANALYTICA CONFERENCE 2008
• Automated Identification of Metabolite Biomarkers by Combining Database Search and Projection Analysis in an Integrated Software System - ENC CONFERENCE 2008
• Practical Information Extraction Process in NMR-based Metabolomics - METABOMEETING 4 CONFERENCE 2008
• Pushing the Limits of Metabolite Biomarker Identification - SMASH CONFERENCE 2007
• New Development in an Integrated System for NMR-Based Metabolomics Analysis - SMASH CONFERENCE 2007
• Achieve Class Separation, NMR-Based Metabolomics - CAMBRIDGE HEALTH INSTITUTE BIOMARKER CONFERENCE 2007
• An Integrated Software Environment for NMR-Based Metabolomics Data Analysis - Leap to Biomarker Identification from PCA - METABOLOMICS SOCIETY CONFERENCE 2007
• 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
• Fixed-Width Binning, Variable-Width Binning or No Binning: A Study of Different Binning Methods in NMR-Based Metabolomics Analysis - METABOMEETING 3 CONFERENCE 2006
• KnowItAll Informatics System: A Seamlessly Integrated Working Environment For NMR-Based Metabolomics Analysis - METABOLOMICS SOCIETY CONFERENCE 2006
• Toward Diagnosis of Diabetes by NMR and Multivariate Analysis: Study of 1H NMR Spectra of Human Serum in an Integrated Working Environment - ACS FALL CONFERENCE 2006

Installation Guides

• KnowItAll Informatics System Installation Guide
• KnowItAll Internet Download Installation Instructions
• Sadtler IR Database Installation Guide (For *.idx format databases only)

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