| New Software Features |
Bug Fixes |
| Version 9.5.4 |
- Fixed several minor issues reported
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| Version 9.5.3 |
- Fixed several minor issues reported
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| 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
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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
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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.
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- Missing database access status in KnowItAll
- Transferring Analyzed MVP graph to report template
- Raman mixture analysis crash
- Nicolet Raman .spa spectrum import
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Version 9.0.5
- Introduced the HORIBA Edition
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- 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
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| 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
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| 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
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| 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
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| 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
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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
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- Overlap Density Heatmap bug fixed
- Copy and paste spectrum to MS Office applications function fixed
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Version 8.3
- AnalyzeIt IR, Raman, or Polymer IR Knowledgebase Building
- Improved search result viewing
- KnowItAll now reads unicode characters
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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
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- Include the Shimadzu .smf filter
- AnalyzeIt IR absorbance view vs. % transmittance
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Version 8.1.1
- Tested/released newer IPAK, which allows PCA analysis to run faster
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- 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
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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
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- Fixed several issues reported
- SearchIt speed improved
- ATR/IR zoom region stays the same going from one record to the next in a hitlist
- UV peak search improved
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Version 8.0.2
- Improved Mixture Analysis
- Hybrid search taking advantage of client and server computing power
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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
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- Fixed several issues reported
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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
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- 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
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Version 7.8, 7.8.1
- Expanded KnowItAll Enterprise Server
- Improved NMR-based metabolomics tool
- MineIt
- Added new JEOL NMR file import filter
- Added ability to seamlessly import/export data sets between Pirouette and KnowItAll
- Introduced KnowItAll U Edition
- Removed Equbits engine and CompuDrug predictors
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- 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
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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
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- 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
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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
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- 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
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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
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- 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
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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
- Updated the following IR and AnalyzeIt Raman applications
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- 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
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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
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- 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
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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 Academic Edition (www.knowitall.com/academic) of the KnowItAll software
- Added support for Bruker Aspect FID processing
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- 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
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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
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- Fixed a problem with the dialog boxes for installation of databases from CD
- Fixed bugs caused by communication with PallasLib.lib
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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
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- Fixed a bug encountered when reading large sdfiles
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