Keep up to date here with our spectral libraries and software solutions, including KnowItAll, Wiley Registry, ChemWindow, and more!
Wiley Drug Classification Models
Classify drugs with confidence As new drugs outpace the creation of reference spectra, Wiley Drug Classification Models classify an unknown spectrum into a drug class, like opioids, fentanyls, or benzodiazepines, even when no matching reference spectrum is available. Current techniques: IR Raman GC-MS Available as a standalone API, or use the models directly within KnowItAll....Read More
Wiley Spectral Prediction API
Predict spectra for compounds you can't measure When reference spectra don't exist (for novel compounds, proprietary structures, or substances too hazardous to measure), the Spectral Prediction API fills the gap. Submit a chemical structure and receive a predicted spectrum, along with an overlap/applicability score, which tells you how confident the model is in the result. Current...Read More
Wiley Spectral Search API
Submit spectra. Get answers. The Spectral Search API gives your workflow direct access to KnowItAll's proven search algorithms and Wiley's comprehensive spectral libraries. Submit an unknown spectrum and receive a ranked hit list with match scores and compound metadata—no manual search required. Current techniques: IR Raman GC-MS NMR (beta)...Read More
Wiley Spectrum-Structure Validation API
Confirm a spectrum and a structure belong together Manual spectrum-structure verification is slow and hard to scale. This Spectrum-Structure Validation API checks whether an experimental spectrum actually matches the chemical structure it's supposed to represent, returning a compatibility probability (the likelihood the two belong together) and an overlap/applicability score (how confident the...Read More