KnowItAll Version History

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KnowItAll Version History

This document outlines new features and bug fixes for each version of the KnowItAll Informatics System since its release in 2001. This document does not include information about databases. The availability of listed features will depend upon the edition of KnowItAll software you have and the additional features you have licensed.

Current Version: 2014.2

Earlier Versions: 2014.1 | 2014 | 2013.1 | 2013 | 9.5.4 | 9.5.3 | 9.5.2 | 9.5 | 9.0.6 | 9.0.5 | 9.0.4 | 9.0.3 | 9.0.2 | 9.0.1 | 9.0 | 8.3 | 8.2 | 8.1.1 | 8.1 | 8.0.2 | 8.0 | 7.9, 7.95 | 7.8 | 7.5 | 7.0 | 6.001 | 6.0 | 5.0 | 4.1 | 4.0 | 3.1 | 3.0 | 2.2 | 2.1 | 2.0 | 1.3 | 1.2 | 1.1 | 1.0

New Software Features Bug Fixes

Version 2014.2

  • Users can now change language via the License menu in KnowItAll (English, Chinese, French, German, or Japanese)
  • Several bugs have been fixed

Version 2014.1

  • Databases automatically updated in the background
  • Several bugs have been fixed

Version 2014

  • Mixture analysis speed increased
  • RefineIt IR and Raman are renamed to ProcessIt IR and Raman respectively
  • DrawIt is now named ChemWindow® to reflect that this application uses the ChemWindow software
  • Added new Infometrix model format - PMF
  • Fixed several minor issues
Version 2013.1
  • French and German localization improvement
  • Several bugs have been fixed

Version 2013

  • User can put multiple spectra of the same technique as well as different techniques into a single database record
  • Improved GC-MS database building and data linking capabilities
  • Added split window functions to allow viewing multiple spectra records simultaneously
  • Raman Spectrum Management: add control over X-axis direction, store spectra with various laser excitations in the same record, store spectra with various wavenumber ranges in the same record
  • Perform chemical similarity searches using industry standard algorithms
  • User can size an entire spectrum in reference to a peak
  • Added a quick text look up feature
  • Perform simultaneous searches using multiple spectra of the same technique
  • Attach external files to a record (MSDS, PDFs, MS documents, etc.)
  • Multiple user requested features implemented to improve performance and workflow
  • Fixed several minor issues
Version 9.5.4
  • Fixed several minor issues
Version 9.5.3
  • Fixed several minor issues
Version 9.5.2
  • Corrected search issue for structures with attachment modifier (asterisk)
  • Fixed a component spectrum display bug for IDX databases in mixture analysis
  • Corrected a Bruker multi-spectral file import issue in several applications, which caused a crash in mixture analysis
  • Corrected a peak intensity issue in RefineIt
  • Corrected problem with spectra containing negative transmittance values
  • Corrected issue with new database collection codes in the KnowItAll status dialog
  • Fixed database/hit list structure reporting bug
  • In DrawIt and SearchIt, fixed issue for structures containing chromium tricarbonyl
Version 9.5
  • Data toolbox now open by default when KnowItAll starts
  • Search "any field" option added to SearchIt so user can search any text field in databases
  • Three resolution choices for spectral search added to the advanced search menu
  • Correlation (a mean-centered Euclidean Distance method) is now default spectral search and mixture analysis algorithm
  • Second Derivative Euclidean Distance algorithm added to spectrum search and mixture analysis
  • Multi-technique search results are plotted in the MineIt application
  • Detailed search and mixture analysis parameters are now reportable objects
  • Mixture analysis allows user to include/exclude components
  • Show peaks for active or all spectra
  • Different spectral x-axis zoom zones added
  • Spectrum overview pane added
  • Calculate the "average" spectrum and derivative spectra
  • Create macro programs for all spectral techniques
  • Improved reflectance spectrum handling
  • In DrawIt, a flip smaller fragment control added as a menu item, context menu item, and hot key
Version 9.0.6
  • Databases: Five HORIBA Raman databases are added into the HaveItAll Raman data collection.
  • Software: IUPAC application group is removed from HORIBA Edition.
  • Missing database access status in KnowItAll
  • Transferring Analyzed MVP graph to report template
  • Raman mixture analysis crash
  • Nicolet Raman .spa spectrum import
Version 9.0.5
  • Introduced the HORIBA Edition
  • Fixed a tagged hit list export to Pirouette bug
  • Resolved an MVP symbol copy/print problem
  • Fixed Ampersand character display in KnowItAll application group name
  • Fixed the crash when one deletes a record in an SDB database
  • Resolved the differences in .spc file import into SearchIt, MineIt and RefineIt
  • Fixed the result display bug for combined IR spectrum and peak search against an ATR database
  • Fixed the fail of importing a JDF file
  • Fixed various issues for NMR peak assignment
  • Fixed a Japanese character wrapping problem
Version 9.0.4
  • Fixed issue with ATR spectra peak searches
  • Fixed bug that did not allow MS peak peaking in searches
  • Fixed bug that did not allow user to open certain MS files
  • Fixed issue for users unable to open version 7.5 user databases
Version 9.0.3
  • Fixed Chinese string corruption in dropdown list boxes
  • Fixed the crash when importing XNMR spectrum from an sdf file
  • Fixed a bug in PredictIt XNMR
Version 9.0.2
  • Fixed the component scaling bug using IDX (High) databases in Mixture Analysis
  • Improved JCAMP file importing of spectrum properties
  • Simplified selection of KnowItAll files
  • Improved NMR prediction application stability
Version 9.0.1
  • Multi-technique search
  • Mixture Analysis residual scaling
  • ODHM for transmittance spectra
  • MS x-axis scaling in an user database
  • "All hits" in search parameter
  • Horiba .nsg filter bug fixed
Version 9.0
  • New format (*.sdbx) supports unrestricted spectral range and resolution for user databases
  • HaveItAll IR, NIR, and Raman reference spectra now offered at higher resolution (*.sdbx format)
  • Independent management of properties for multiple analytical techniques in user databases
  • User database creation simplified: users can add chemical structures and import property data from a spectral file more easily
  • DrawIt includes three unique new drawing tools for hydrogen bond, substitution, and delocalized system to comply with the most recent IUPAC recommendations for chemical structure representation
  • Horiba NGS file format now supported
  • KnowItAll now available in Chinese
  • Retired BuyIt, ADME/Tox Predictors, ProfileIt, TrendAnalysis, OptimizeIt applications and ADME/Tox and MedChem Editions of KnowItAll
  • Overlap Density Heatmap bug fixed
  • Copy and paste spectrum to MS Office applications function fixed
Version 8.3
  • AnalyzeIt IR, Raman, or Polymer IR Knowledgebase Building
  • Improved search result viewing
  • KnowItAll now reads unicode characters
 
Version 8.2
  • AnalyzeIt IR now links to Sadtler Handbook
  • All applications file preview available
  • ReportIt templates updated
  • MineIt displays full name of database in which spectrum is found
  • Windows 7 compatible
  • Include the Shimadzu .smf filter
  • AnalyzeIt IR absorbance view vs. % transmittance
Version 8.1.1
  • Tested/released newer IPAK, which allows PCA analysis to run faster
  • Fixed crash when browsing IDX databases with Hampden structures in it
  • Fixed crash when searching IDX databases in Mixture Analysis with "Spectrum is ATR" selected
  • Fixed bug where a IDX database spectrum is displayed as a straight line in a Mixture Analysis hit list
  • Corrected bug where a Mixture Analysis of Raman IDX databases fail to work
  • Fixed crash when opening a database created by importing certain JCAMP files
  • Fixed a crash in MS tool in ReportIt
  • Fixed issue in NMR search result scale
  • Fixed an NMR assignment bug
  • Fixed bug in ReportIt where a hit list object can not be copied and pasted into Microsoft Office applications properly
Version 8.1
  • Enabled SpecFinder database searching
  • Mixture Analysis now provides component ratio information, displays component structure and spectrum scaled to "best fit" by default
  • When user has database building option, you will see "MineIt/Create Database" under the MineIt application. "MineIt" appears under the application if database building is not included in the user's current license
  • New file filters supported: JASCO UV, PG Instrument UV, Multi-spectra file
  • Fixed several issues
  • SearchIt speed improved
  • ATR/IR zoom region stays the same going from one record to the next in a hitlist
  • UV peak search improved
Version 8.0.2
  • Improved Mixture Analysis
  • Hybrid search taking advantage of client and server computing power
  • Fixed several issues
Version 8.0
  • Added spectral mixture analysis feature to assist researchers in the analysis of the components of mixture spectra
  • Improved ATR spectra handling
    • KnowItAll users can now identify the query spectrum as an ATR/FTIR spectrum; the software will then perform an ATR correction so the spectrum can be compared to transmission reference spectra
    • Alternatively, when the query spectrum is an FTIR spectrum, the software will automatically do a reverse ATR correction to permit the query to be compared against ATR reference databases. When the query is an FTIR, the software will automatically do a reverse ATR correction
  • Improved KnowItAll Metabolomics Edition
    • Automatic Filtering of NMR Spectra (AFNS) – new technology to help researchers identify significant features in complex spectra; it features a rolling binning algorithm, multiple bin widths, and t-statistic-based filtering
    • Added pareto pre-processing
  • Added new data import file converter for Renishaw
  • Added Area Under the Curve (AUC) calculation for IR analysis
  • Improved database property management
  • Improved mass spectrum display
  • Created two new editions of the KnowItAll software: KnowItAll UV-Vis Edition and KnowItAll Spectroscopy Edition
  • Added database building and searching tools to the KnowItAll ChemWindow Edition
  • Now include database building in the KnowItAll Analytical Edition
  • New licensing option: programmable security devices now available for users who upgrade existing software
  • Fixed several issues
Version 7.9, 7.9.5
  • Created AnalyzeIt Polymer IR to aid in the interpretation of the bands in an infrared spectrum specifically for polymeric compounds (7.9.5)
  • KnowItAll is now fullly tested and compatible with Windows Vista (7.9.5)
  • Changes to Editions
    • Created an IR/NIR Edition (in addition to existing IR Edition)
    • Added Overlap Density Heatmap as an accessible option for the IR/NIR Edition
  • New ReportIt templates
  • Improved NMR-based metabolomics tool
    • Binned data export to Pirouette® and import Pirouette loadings back to KnowItAll
    • Local spectral alignment
    • Peak search improvement
    • Peak distance measurement, selection of baseline points, autophasing improvements
    • Improved Database Projection for binned data
  • Added new data import filters
    • NIR GuidedWave Format
    • Generic X, Y spectral filter
    • File path storage
    • Spreadsheet data
  • Added new MineIt quick peak assignment
  • Licensing
    • Added ability to show hardware security device (dongle) ID number in KnowItAll status page
    • Changed KnowItAll registration dialog—only internet or hardware security device (dongle) licensing
  • Fixed bugs reported from Japanese operating system (7.9.5)
  • Fixed problems of licensing through firewall
  • Clarified message in dialog box for Maintenance License Expiration
Version 7.8, 7.8.1
  • Enhanced KnowItAll Enterprise Server
  • Improved NMR-based metabolomics tool
    • Added Database Projection Analysis
    • Added the ability to configure and execute Infometrix® models
  • MineIt
    • Added new JEOL NMR file import filter
    • Added ability to seamlessly import/export data sets between Pirouette and KnowItAll
  • Introduced KnowItAll U Edition/li>
  • Removed Equbits engine and CompuDrug predictors
  • Fixed problems in MineIt with polymers that use the bracket multiplier tool
  • Made changes so that the MasterProp.bin and UserProp.bin folders are not removed during an uninstallation
  • Fixed a problem when KnowItAll the Academic Edition is selected
  • Fixed a problem where the incorrect splash screens displayed for the MedChem, Metabolomics, and KnowItAll U Editions
  • Fixed an issue where NL.sdx was on Disk 2 NMR 1 but should have been on Disk 3 NMR 2
Version 7.5
  • Added Maximum Common Substructure (MCS) feature for analysis of databases and hit lists
  • Enhanced NMR-based metabolomics tool, Metabolomics Edition including
    • Binning and bucketing of spectra (fixed width and IntelliBucket™)
    • Global peak alignment
    • De-normalization of spectra or chromatograms in databases
    • Batch spectra processing
    • Batch database record editing
    • Enhanced ProcessIt NMR, including a powerful macro feature
  • Licensing
    • Added support for parallel hardware security devices (dongle)
    • Added ability of dongle to work with French and German operating systems
  • Fixed a bug when using Overlap Density Heatmaps with % Transmittance
  • Fixed a problem with spectral display in user databases created with KnowItAll 6.0
  • Fixed a bug with SDF export on Japanese operating systems
  • Fixed a problem where *.mvp files created with KnowItAll 7.500 could not be opened in KnowItAll 7.501
  • Fixed a security issue with hit lists
  • Fixed baseline correction bug
  • Fixed a problem with the Overlap Density Heatmap slider control
  • Fixed pop-up menu display in class separation table in AnalyzeIt MVP
  • Fixed a bug triggered using profiles with user databases
  • Fixed a bug when moving bucketing grids in AnalyzeIt MVP
  • Fixed a bug triggered when using flatline in a macro from MineIt
  • Fixed a bug using newly created NMR macros in MineIt
  • Fixed peak picking for NMR peak table data
  • Fixed a problem with Fourier transform of Bruker Topspin version 1.3 FIDs
  • Fixed problems when transferring 3D plots to other applications
  • Implemented a fix for a problem in CompuDrug PredictIt Metabolism relating to handling tertiary N-oxides
Version 7.0
  • Introduced patented Overlap Density Heatmap technology to the Analytical Edition
  • Introduced AnalyzeIt MVP for multivariate analysis
    • Implemented Principal Component Analysis (PCA) features
  • Added MolSAR™ tools for building neural networked-based property models
  • Introduced Metabolomics Edition
    • Binning and bucketing of spectra
    • Global peak alignment
    • De-normalization of spectra or chromatograms in databases
  • Introduced hardware security device (dongle) licensing
  • Provided a fix to a bug of AnalyzeIt MVP in an early release of version 7.0
  • Provided a security fix to HitListDB.dll, MineIt.dll, and TableView.dll
Version 6.0, 6.001
  • Split KnowItAll Academic Edition download from KnowItAll commercial release download
  • Added outlier detection code to exclude potential
  • Added the display of peak tolerances and required flag to the search parameters table
  • Fixed incorrect assignments from NMR shift calculations
  • Introduced MedChem Edition
    • Created OptimizeIt application
    • Created "generic" structure representation
  • Fixed a bug in the AnalyzeIt IR and AnalyzeIt Raman applications
  • Fixed a security issue
  • Fixed bug preventing IDX spectral database properties from displaying
  • Fixed a bug when using multiple structure and property criteria in a multi-technique search
  • Fixed an issue with NMR properties
  • Improved an instrument vendor file import filter that was not able to import unevenly spaced Raman data created with a particular version of the instrument vendor software
  • Fixed an issue in which a dative bond was not handled correctly in MOL file export
  • Fixed a memory leak
  • Fixed an issue with the SetColors function for changing scatter plot symbols in CompareIt and ValidateIt
  • Fixed a bug in which the R-group count was not updated when changing the scaffold structure
  • Fixed a bug that occurred when calculating a property as an array (such as log D) in which the correct flag was not reset
  • Optimized performance of property calculations with Equbits models
  • Fixed problems with peak tolerance
  • Fixed calculation of the sensitivity and specificity for Boolean consensus models
Version 5.0
  • Introduced multi-technique searching capability: a system that utilizes multi-dimensional analysis of hit lists from spectral similarity searches performed simultaneously in reference databases for multiple complementary analytical techniques
  • Introduced KnowItAll Enterprise Server
  • Merged software download site
  • Fixed bugs in AnalyzeIt IR and AnalyzeIt Raman applications
  • Fixed a bug in the AnalyzeIt IR and AnalyzeIt Raman applications
  • Updated the following
    • HitListDb.dll (spectra in locked hit lists do not display in the MineIt spectrum pane)
    • SearchIt.dll (KnowItAll experienced problems if a user attempted to open a structure file in SearchIt without selecting databases first)
    • KnowItAll.exe (the license wizard menu item is visible in some applications when running Japanese Windows and licensing via the web)
    • MineIt.dll (a problem with the Japanese translation of the "Display Profiles" static text on the profiles toolbar in MineIt)
    • MolFilter2.dll (SDF import error)
  • Corrected a problem where Equbits' security disabled the Equbits engine
  • Corrected a problem where the "Unlock Hit List" menu item was disabled for searches using local databases
  • Fixed issue with water solubility
  • Corrected Japanese resource problems
  • Addressed exception handling during SDF import of structures not conforming to proper *.SDF file conventions
Version 4.0, 4.1
  • Added CompareIt application to visualize and compare data within a single database or between multiple databases
  • Upgraded ChemSilico ADME/Tox prediction engine
  • Introduced Equbits Interpreter
  • Introduced Strand Genomics predictors
  • Fixed a problem experienced by KnowItAll during *.SDF export of very large databases
  • Fixed an issue in which KnowItAll experienced problems when searching extremely large databases
  • Fixed many issues in the Japanese versions of the software
Version 3.0, 3.1
  • Added the SymsApp application, a professional symmetry analysis and 3-D molecular rendering program, designed for desktop visualization and publishing
  • Added new MS fragmentation tool
  • Introduced Syracuse Research and ChemSilico models in the ADME/Tox Edition
  • Introduced Consensus Modeling for ADME/Tox
  • Created the first downloadable free KnowItAll Academic Edition
  • Added support for Bruker Aspect FID processing
  • Fixed an issue involving the Other Techniques link in user databases
  • Fixed an issue involving the lasso tool
  • Fixed several Windows NT specific bugs
  • Fixed a bug in DBDoctor that caused spectra in IDX user databases to import improperly
  • Fixed problems with DigiLab and JEOL file import filters
  • Added missing translations to ProcessIt NMR Add/Subtract Spectra dialog
  • Fixed a problem where starting KnowItAll from the command line with a spectrum file name and plug-in GUID did not send the spectrum to the specified plug-in
  • Fixed a problem where starting KnowItAll from JASCO software would not work
  • Fixed a problem with Disk 3 (NMR 2) only
  • Addressed issues with AssignIt NMR
  • Fixed Japanese resources
  • Updated NUTS filter to support type 2 files
  • Fixed an un-installation issue
  • Fixed auto-normalization issue
Version 2.0, 2.1, 2.2
  • Added new capabilities to KnowItAll, including:
    • Ability to draw, store, and search complex mixtures of stereoisomers, including enantiomers and diastereomers
    • 3D structure viewing capability
    • Software option to search XNMR databases
    • Software option to build XNMR databases with assignments
    • Software and database license activation via the web
    • Network installation option
    • ProcessIt NMR
    • ProcessIt MS
    • PERCH (Model It NMR)
    • AssignIt NMR
    • AnalyzeIt IR Raman
    • KnowItAll Software Developers' Kit (SDK)
    • Internet Licensing
  • Added new KnowItAll Editions
    • Cheminformatics
    • ADME/Tox
    • Pallas
    • Forensic
    • IR
    • JASCO
  • Added Rule of Five and batch property
  • Fixed a problem with the dialog boxes for installation of databases from CD
  • Fixed bugs caused by communication with PallasLib.lib
Version 1.0, 1.1, 1.2, 1.3
  • Introduced major analytical data processing tools with the launch of the KnowItAll Analytical System
    • DrawIt
    • ReportIt
    • MineIt
    • SearchIt
    • AnalyzeIt IR
    • AnalyzeIt Raman
    • AssignIt NMR
    • RefineIt IR
    • RefineIt Raman
    • PredictIt NMR
    • IUPAC NameIt
    • IUPAC DrawIt
  • Created editions of the KnowItAll Informatics System, including:
    • Analytical
    • Forensic
    • ChemWindow
    • Student
  • Introduced security control
  • Localized into Japanese
  • Fixed a bug encountered when reading large sdfiles
  • Several bugs have been fixed

Version 2014.1

  • Databases automatically updated in the background
  • Several bugs have been fixed

Version 2014

  • Mixture analysis speed increased
  • RefineIt IR and Raman are renamed to ProcessIt IR and Raman respectively
  • DrawIt is now named ChemWindow® to reflect that this application uses the ChemWindow software
  • Added new Infometrix model format - PMF
  • Fixed several minor issues
Version 2013.1
  • French and German localization improvement
  • Several bugs have been fixed

Version 2013

  • User can put multiple spectra of the same technique as well as different techniques into a single database record
  • Improved GC-MS database building and data linking capabilities
  • Added split window functions to allow viewing multiple spectra records simultaneously
  • Raman Spectrum Management: add control over X-axis direction, store spectra with various laser excitations in the same record, store spectra with various wavenumber ranges in the same record
  • Perform chemical similarity searches using industry standard algorithms
  • User can size an entire spectrum in reference to a peak
  • Added a quick text look up feature
  • Perform simultaneous searches using multiple spectra of the same technique
  • Attach external files to a record (MSDS, PDFs, MS documents, etc.)
  • Multiple user requested features implemented to improve performance and workflow
  • Fixed several minor issues
Version 9.5.4
  • Fixed several minor issues
Version 9.5.3
  • Fixed several minor issues
Version 9.5.2
  • Corrected search issue for structures with attachment modifier (asterisk)
  • Fixed a component spectrum display bug for IDX databases in mixture analysis
  • Corrected a Bruker multi-spectral file import issue in several applications, which caused a crash in mixture analysis
  • Corrected a peak intensity issue in RefineIt
  • Corrected problem with spectra containing negative transmittance values
  • Corrected issue with new database collection codes in the KnowItAll status dialog
  • Fixed database/hit list structure reporting bug
  • In DrawIt and SearchIt, fixed issue for structures containing chromium tricarbonyl
Version 9.5
  • Data toolbox now open by default when KnowItAll starts
  • Search "any field" option added to SearchIt so user can search any text field in databases
  • Three resolution choices for spectral search added to the advanced search menu
  • Correlation (a mean-centered Euclidean Distance method) is now default spectral search and mixture analysis algorithm
  • Second Derivative Euclidean Distance algorithm added to spectrum search and mixture analysis
  • Multi-technique search results are plotted in the MineIt application
  • Detailed search and mixture analysis parameters are now reportable objects
  • Mixture analysis allows user to include/exclude components
  • Show peaks for active or all spectra
  • Different spectral x-axis zoom zones added
  • Spectrum overview pane added
  • Calculate the "average" spectrum and derivative spectra
  • Create macro programs for all spectral techniques
  • Improved reflectance spectrum handling
  • In DrawIt, a flip smaller fragment control added as a menu item, context menu item, and hot key
Version 9.0.6
  • Databases: Five HORIBA Raman databases are added into the HaveItAll Raman data collection.
  • Software: IUPAC application group is removed from HORIBA Edition.
  • Missing database access status in KnowItAll
  • Transferring Analyzed MVP graph to report template
  • Raman mixture analysis crash
  • Nicolet Raman .spa spectrum import
Version 9.0.5
  • Introduced the HORIBA Edition
  • Fixed a tagged hit list export to Pirouette bug
  • Resolved an MVP symbol copy/print problem
  • Fixed Ampersand character display in KnowItAll application group name
  • Fixed the crash when one deletes a record in an SDB database
  • Resolved the differences in .spc file import into SearchIt, MineIt and RefineIt
  • Fixed the result display bug for combined IR spectrum and peak search against an ATR database
  • Fixed the fail of importing a JDF file
  • Fixed various issues for NMR peak assignment
  • Fixed a Japanese character wrapping problem
Version 9.0.4
  • Fixed issue with ATR spectra peak searches
  • Fixed bug that did not allow MS peak peaking in searches
  • Fixed bug that did not allow user to open certain MS files
  • Fixed issue for users unable to open version 7.5 user databases
Version 9.0.3
  • Fixed Chinese string corruption in dropdown list boxes
  • Fixed the crash when importing XNMR spectrum from an sdf file
  • Fixed a bug in PredictIt XNMR
Version 9.0.2
  • Fixed the component scaling bug using IDX (High) databases in Mixture Analysis
  • Improved JCAMP file importing of spectrum properties
  • Simplified selection of KnowItAll files
  • Improved NMR prediction application stability
Version 9.0.1
  • Multi-technique search
  • Mixture Analysis residual scaling
  • ODHM for transmittance spectra
  • MS x-axis scaling in an user database
  • "All hits" in search parameter
  • Horiba .nsg filter bug fixed
Version 9.0
  • New format (*.sdbx) supports unrestricted spectral range and resolution for user databases
  • HaveItAll IR, NIR, and Raman reference spectra now offered at higher resolution (*.sdbx format)
  • Independent management of properties for multiple analytical techniques in user databases
  • User database creation simplified: users can add chemical structures and import property data from a spectral file more easily
  • DrawIt includes three unique new drawing tools for hydrogen bond, substitution, and delocalized system to comply with the most recent IUPAC recommendations for chemical structure representation
  • Horiba NGS file format now supported
  • KnowItAll now available in Chinese
  • Retired BuyIt, ADME/Tox Predictors, ProfileIt, TrendAnalysis, OptimizeIt applications and ADME/Tox and MedChem Editions of KnowItAll
  • Overlap Density Heatmap bug fixed
  • Copy and paste spectrum to MS Office applications function fixed
Version 8.3
  • AnalyzeIt IR, Raman, or Polymer IR Knowledgebase Building
  • Improved search result viewing
  • KnowItAll now reads unicode characters
  Version 8.2
  • AnalyzeIt IR now links to Sadtler Handbook
  • All applications file preview available
  • ReportIt templates updated
  • MineIt displays full name of database in which spectrum is found
  • Windows 7 compatible
  • Include the Shimadzu .smf filter
  • AnalyzeIt IR absorbance view vs. % transmittance
Version 8.1.1
  • Tested/released newer IPAK, which allows PCA analysis to run faster
  • Fixed crash when browsing IDX databases with Hampden structures in it
  • Fixed crash when searching IDX databases in Mixture Analysis with "Spectrum is ATR" selected
  • Fixed bug where a IDX database spectrum is displayed as a straight line in a Mixture Analysis hit list
  • Corrected bug where a Mixture Analysis of Raman IDX databases fail to work
  • Fixed crash when opening a database created by importing certain JCAMP files
  • Fixed a crash in MS tool in ReportIt
  • Fixed issue in NMR search result scale
  • Fixed an NMR assignment bug
  • Fixed bug in ReportIt where a hit list object can not be copied and pasted into Microsoft Office applications properly
Version 8.1
  • Enabled SpecFinder database searching
  • Mixture Analysis now provides component ratio information, displays component structure and spectrum scaled to "best fit" by default
  • When user has database building option, you will see "MineIt/Create Database" under the MineIt application. "MineIt" appears under the application if database building is not included in the user's current license
  • New file filters supported: JASCO UV, PG Instrument UV, Multi-spectra file
  • Fixed several issues
  • SearchIt speed improved
  • ATR/IR zoom region stays the same going from one record to the next in a hitlist
  • UV peak search improved
Version 8.0.2
  • Improved Mixture Analysis
  • Hybrid search taking advantage of client and server computing power
  • Fixed several issues
Version 8.0
  • Added spectral mixture analysis feature to assist researchers in the analysis of the components of mixture spectra
  • Improved ATR spectra handling
    • KnowItAll users can now identify the query spectrum as an ATR/FTIR spectrum; the software will then perform an ATR correction so the spectrum can be compared to transmission reference spectra
    • Alternatively, when the query spectrum is an FTIR spectrum, the software will automatically do a reverse ATR correction to permit the query to be compared against ATR reference databases. When the query is an FTIR, the software will automatically do a reverse ATR correction
  • Improved KnowItAll Metabolomics Edition
    • Automatic Filtering of NMR Spectra (AFNS) – new technology to help researchers identify significant features in complex spectra; it features a rolling binning algorithm, multiple bin widths, and t-statistic-based filtering
    • Added pareto pre-processing
  • Added new data import file converter for Renishaw
  • Added Area Under the Curve (AUC) calculation for IR analysis
  • Improved database property management
  • Improved mass spectrum display
  • Created two new editions of the KnowItAll software: KnowItAll UV-Vis Edition and KnowItAll Spectroscopy Edition
  • Added database building and searching tools to the KnowItAll ChemWindow Edition
  • Now include database building in the KnowItAll Analytical Edition
  • New licensing option: programmable security devices now available for users who upgrade existing software
  • Fixed several issues
Version 7.9, 7.9.5
  • Created AnalyzeIt Polymer IR to aid in the interpretation of the bands in an infrared spectrum specifically for polymeric compounds (7.9.5)
  • KnowItAll is now fullly tested and compatible with Windows Vista (7.9.5)
  • Changes to Editions
    • Created an IR/NIR Edition (in addition to existing IR Edition)
    • Added Overlap Density Heatmap as an accessible option for the IR/NIR Edition
  • New ReportIt templates
  • Improved NMR-based metabolomics tool
    • Binned data export to Pirouette® and import Pirouette loadings back to KnowItAll
    • Local spectral alignment
    • Peak search improvement
    • Peak distance measurement, selection of baseline points, autophasing improvements
    • Improved Database Projection for binned data
  • Added new data import filters
    • NIR GuidedWave Format
    • Generic X, Y spectral filter
    • File path storage
    • Spreadsheet data
  • Added new MineIt quick peak assignment
  • Licensing
    • Added ability to show hardware security device (dongle) ID number in KnowItAll status page
    • Changed KnowItAll registration dialog—only internet or hardware security device (dongle) licensing
  • Fixed bugs reported from Japanese operating system (7.9.5)
  • Fixed problems of licensing through firewall
  • Clarified message in dialog box for Maintenance License Expiration
Version 7.8, 7.8.1
  • Enhanced KnowItAll Enterprise Server
  • Improved NMR-based metabolomics tool
    • Added Database Projection Analysis
    • Added the ability to configure and execute Infometrix® models
  • MineIt
    • Added new JEOL NMR file import filter
    • Added ability to seamlessly import/export data sets between Pirouette and KnowItAll
  • Introduced KnowItAll U Edition/li>
  • Removed Equbits engine and CompuDrug predictors
  • Fixed problems in MineIt with polymers that use the bracket multiplier tool
  • Made changes so that the MasterProp.bin and UserProp.bin folders are not removed during an uninstallation
  • Fixed a problem when KnowItAll the Academic Edition is selected
  • Fixed a problem where the incorrect splash screens displayed for the MedChem, Metabolomics, and KnowItAll U Editions
  • Fixed an issue where NL.sdx was on Disk 2 NMR 1 but should have been on Disk 3 NMR 2
Version 7.5
  • Added Maximum Common Substructure (MCS) feature for analysis of databases and hit lists
  • Enhanced NMR-based metabolomics tool, Metabolomics Edition including
    • Binning and bucketing of spectra (fixed width and IntelliBucket™)
    • Global peak alignment
    • De-normalization of spectra or chromatograms in databases
    • Batch spectra processing
    • Batch database record editing
    • Enhanced ProcessIt NMR, including a powerful macro feature
  • Licensing
    • Added support for parallel hardware security devices (dongle)
    • Added ability of dongle to work with French and German operating systems
  • Fixed a bug when using Overlap Density Heatmaps with % Transmittance
  • Fixed a problem with spectral display in user databases created with KnowItAll 6.0
  • Fixed a bug with SDF export on Japanese operating systems
  • Fixed a problem where *.mvp files created with KnowItAll 7.500 could not be opened in KnowItAll 7.501
  • Fixed a security issue with hit lists
  • Fixed baseline correction bug
  • Fixed a problem with the Overlap Density Heatmap slider control
  • Fixed pop-up menu display in class separation table in AnalyzeIt MVP
  • Fixed a bug triggered using profiles with user databases
  • Fixed a bug when moving bucketing grids in AnalyzeIt MVP
  • Fixed a bug triggered when using flatline in a macro from MineIt
  • Fixed a bug using newly created NMR macros in MineIt
  • Fixed peak picking for NMR peak table data
  • Fixed a problem with Fourier transform of Bruker Topspin version 1.3 FIDs
  • Fixed problems when transferring 3D plots to other applications
  • Implemented a fix for a problem in CompuDrug PredictIt Metabolism relating to handling tertiary N-oxides
Version 7.0
  • Introduced patented Overlap Density Heatmap technology to the Analytical Edition
  • Introduced AnalyzeIt MVP for multivariate analysis
    • Implemented Principal Component Analysis (PCA) features
  • Added MolSAR™ tools for building neural networked-based property models
  • Introduced Metabolomics Edition
    • Binning and bucketing of spectra
    • Global peak alignment
    • De-normalization of spectra or chromatograms in databases
  • Introduced hardware security device (dongle) licensing
  • Provided a fix to a bug of AnalyzeIt MVP in an early release of version 7.0
  • Provided a security fix to HitListDB.dll, MineIt.dll, and TableView.dll
Version 6.0, 6.001
  • Split KnowItAll Academic Edition download from KnowItAll commercial release download
  • Added outlier detection code to exclude potential
  • Added the display of peak tolerances and required flag to the search parameters table
  • Fixed incorrect assignments from NMR shift calculations
  • Introduced MedChem Edition
    • Created OptimizeIt application
    • Created "generic" structure representation
  • Fixed a bug in the AnalyzeIt IR and AnalyzeIt Raman applications
  • Fixed a security issue
  • Fixed bug preventing IDX spectral database properties from displaying
  • Fixed a bug when using multiple structure and property criteria in a multi-technique search
  • Fixed an issue with NMR properties
  • Improved an instrument vendor file import filter that was not able to import unevenly spaced Raman data created with a particular version of the instrument vendor software
  • Fixed an issue in which a dative bond was not handled correctly in MOL file export
  • Fixed a memory leak
  • Fixed an issue with the SetColors function for changing scatter plot symbols in CompareIt and ValidateIt
  • Fixed a bug in which the R-group count was not updated when changing the scaffold structure
  • Fixed a bug that occurred when calculating a property as an array (such as log D) in which the correct flag was not reset
  • Optimized performance of property calculations with Equbits models
  • Fixed problems with peak tolerance
  • Fixed calculation of the sensitivity and specificity for Boolean consensus models
Version 5.0
  • Introduced multi-technique searching capability: a system that utilizes multi-dimensional analysis of hit lists from spectral similarity searches performed simultaneously in reference databases for multiple complementary analytical techniques
  • Introduced KnowItAll Enterprise Server
  • Merged software download site
  • Fixed bugs in AnalyzeIt IR and AnalyzeIt Raman applications
  • Fixed a bug in the AnalyzeIt IR and AnalyzeIt Raman applications
  • Updated the following
    • HitListDb.dll (spectra in locked hit lists do not display in the MineIt spectrum pane)
    • SearchIt.dll (KnowItAll experienced problems if a user attempted to open a structure file in SearchIt without selecting databases first)
    • KnowItAll.exe (the license wizard menu item is visible in some applications when running Japanese Windows and licensing via the web)
    • MineIt.dll (a problem with the Japanese translation of the "Display Profiles" static text on the profiles toolbar in MineIt)
    • MolFilter2.dll (SDF import error)
  • Corrected a problem where Equbits' security disabled the Equbits engine
  • Corrected a problem where the "Unlock Hit List" menu item was disabled for searches using local databases
  • Fixed issue with water solubility
  • Corrected Japanese resource problems
  • Addressed exception handling during SDF import of structures not conforming to proper *.SDF file conventions
Version 4.0, 4.1
  • Added CompareIt application to visualize and compare data within a single database or between multiple databases
  • Upgraded ChemSilico ADME/Tox prediction engine
  • Introduced Equbits Interpreter
  • Introduced Strand Genomics predictors
  • Fixed a problem experienced by KnowItAll during *.SDF export of very large databases
  • Fixed an issue in which KnowItAll experienced problems when searching extremely large databases
  • Fixed many issues in the Japanese versions of the software
Version 3.0, 3.1
  • Added the SymsApp application, a professional symmetry analysis and 3-D molecular rendering program, designed for desktop visualization and publishing
  • Added new MS fragmentation tool
  • Introduced Syracuse Research and ChemSilico models in the ADME/Tox Edition
  • Introduced Consensus Modeling for ADME/Tox
  • Created the first downloadable free KnowItAll Academic Edition
  • Added support for Bruker Aspect FID processing
  • Fixed an issue involving the Other Techniques link in user databases
  • Fixed an issue involving the lasso tool
  • Fixed several Windows NT specific bugs
  • Fixed a bug in DBDoctor that caused spectra in IDX user databases to import improperly
  • Fixed problems with DigiLab and JEOL file import filters
  • Added missing translations to ProcessIt NMR Add/Subtract Spectra dialog
  • Fixed a problem where starting KnowItAll from the command line with a spectrum file name and plug-in GUID did not send the spectrum to the specified plug-in
  • Fixed a problem where starting KnowItAll from JASCO software would not work
  • Fixed a problem with Disk 3 (NMR 2) only
  • Addressed issues with AssignIt NMR
  • Fixed Japanese resources
  • Updated NUTS filter to support type 2 files
  • Fixed an un-installation issue
  • Fixed auto-normalization issue
Version 2.0, 2.1, 2.2
  • Added new capabilities to KnowItAll, including:
    • Ability to draw, store, and search complex mixtures of stereoisomers, including enantiomers and diastereomers
    • 3D structure viewing capability
    • Software option to search XNMR databases
    • Software option to build XNMR databases with assignments
    • Software and database license activation via the web
    • Network installation option
    • ProcessIt NMR
    • ProcessIt MS
    • PERCH (Model It NMR)
    • AssignIt NMR
    • AnalyzeIt IR Raman
    • KnowItAll Software Developers' Kit (SDK)
    • Internet Licensing
  • Added new KnowItAll Editions
    • Cheminformatics
    • ADME/Tox
    • Pallas
    • Forensic
    • IR
    • JASCO
  • Added Rule of Five and batch property
  • Fixed a problem with the dialog boxes for installation of databases from CD
  • Fixed bugs caused by communication with PallasLib.lib
Version 1.0, 1.1, 1.2, 1.3
  • Introduced major analytical data processing tools with the launch of the KnowItAll Analytical System
    • DrawIt
    • ReportIt
    • MineIt
    • SearchIt
    • AnalyzeIt IR
    • AnalyzeIt Raman
    • AssignIt NMR
    • RefineIt IR
    • RefineIt Raman
    • PredictIt NMR
    • IUPAC NameIt
    • IUPAC DrawIt
  • Created editions of the KnowItAll Informatics System, including:
    • Analytical
    • Forensic
    • ChemWindow
    • Student
  • Introduced security control
  • Localized into Japanese
  • Fixed a bug encountered when reading large sdfiles


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