A new version, KnowItAll 2020, has been released. There is a simplified interface to streamline workflow for spectral search. It also integrates spectral mixture analysis and spectral deformulation capabilities directly into the interface. Spectral processing and IR and Raman functional group analyses have been streamlined. A new layout combines previously separate applications for each technique into a smart application that can recognise file type. IR Spectra Classification for Designer Drugs allows researchers to 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 has improved ability to search unknown spectra from disparate multiple technique spectra simultaneously and visualise the results on a scatter plot. Increased Chemical Intelligence with The new Related Compounds View provides increased insight into analyses by 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 a high level of chemical intelligence to the entire platform.
DEA Controlled Substance Prediction enables users to match a structure with Drug Enforcement Agency 21 CFR Regulations on controlled substances. New tools in the enhanced structure drawing make it easier to move, highlight and select objects. There is also a more comprehensive set of pre-defined substituent fragments and expanded “fuzzy” structure representation features.