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Wiley Launches KnowItAll 2020 Spectroscopy Software

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John Wiley & Sons Inc. has announced the debut of KnowItAll 2020, following the company’s acquisition of the informatics KnowItAll spectroscopy software and spectral databases in April. KnowItAll 2020 features a new streamlined interface and tools to accelerate the spectral analysis of unknown compounds, plus new tools specifically designed for drug classification using infrared analysis.

“Coupled with over 2 million high-quality reference spectra, KnowItAll 2020 enhances Wiley Science Solutions – providing an integrated, one-stop solution for spectral identification and data management,” said Jay Flynn, Senior Vice President and Chief Product Officer, Research at Wiley. “We’re always looking for innovative solutions for researchers; and with KnowItAll’s simpler, more intuitive interface, and a new model derived from machine learning for spectral identification, researchers will be able to make faster and more accurate analyses.”

KnowItAll 2020 highlights also include:

  • Simplified interface to streamline workflow for spectral search – KnowItAll’s new interface clearly defines the parameters the user may choose for their search on a single screen in a much more intuitive and logical way. It also integrates spectral mixture analysis and spectral deformulation capabilities directly into the interface.  
  • Streamlined spectral processing and IR and Raman functional group analyses – The new layout combines previously separate applications for each technique into a smart application that can recognize file type. 
  • IR spectra classification for designer drugs – New psychoactive substances (NPS) remain a significant challenge for practitioners. Researchers can submit an unknown spectrum for quick classification using Wiley’s new IR Designer Drug Models. Compound classes include: Amphetamines, Anabolic Steroids, Barbiturates, Benzodiazepines, Cannabinoids, Cathinones, Cocaine-Type Substances, Opioids, Phencyclidine-Type Substances, Phenethylamines, Piperazines, Steroids, Tryptamines.
  • Enhanced simultaneous multi-technique search – KnowItAll improves the ability to search unknown spectra from disparate multiple technique spectra simultaneously and visualize the results on a scatter plot. This feature allows users to gain more insight into their samples by using complementary instrument techniques to confirm and orthogonally validate results.
  • Increased chemical intelligence with new related compounds view – This version increases insight into analyses by further exploring a fuller view of compounds related to scientific results. This view interconnects all available reference data by structure, name, synonym, and CAS registry number to add an exceptional level of chemical intelligence to the entire platform. 
  • DEA controlled substance prediction – Users can match a structure with Drug Enforcement Agency 21 CFR Regulations on controlled substances.  
  • Enhanced structure drawing – New tools make it easier to move, highlight, and select objects. It also includes a more comprehensive set of pre-defined substituent fragments and expanded “fuzzy” structure representation features.