Wiley has launched a portfolio of spectral analysis APIs designed to help laboratories and software platforms identify and validate chemical compounds within existing workflows.

Four APIs extend spectral analysis capabilities

The new API portfolio gives users programmatic access to Wiley’s spectral reference data, analytical algorithms and predictive models, allowing the technology to be integrated into laboratory, instrument and software workflows.

The launch includes four APIs covering spectral database searches, spectrum-structure validation, compound classification and spectra prediction.

The Spectral Database Search API allows users to search reference collections to support identification of unknown compounds. The Spectrum-Structure Validation API can be used to compare proposed chemical structures with experimental spectral data.

The Compound Classification API is designed to classify unknown substances according to compound class, including drugs, while the Spectra Prediction API generates predicted spectra for research, method development and validation.

Armughan Rafat, Wiley senior vice president and chief AI and data services officer, said: “Speed matters when you’re trying to identify an unknown substance; a delayed analysis can mean an assembly line sitting idle or a forensic lab holding up a case.”

APIs designed for laboratory workflows

Spectral databases contain molecular information generated through analytical techniques including infrared, mass spectrometry, nuclear magnetic resonance and Raman spectroscopy.

Researchers can compare experimental spectra against reference data to help identify unknown compounds. Making this information available through APIs means software systems and laboratory instruments can request data and analytical results automatically.

Wiley said the APIs are intended to support workflows across pharmaceuticals, forensics, environmental science, chemicals, food and materials, as well as other scientific applications.

The company said the APIs can also support multi-technique workflows and cross-platform interoperability, allowing laboratories and software providers to integrate spectral information without relying solely on individual instrument systems or separate in-house databases.

Rafat added: “We’ve spent decades building the reference data this industry trusts. Now, by making that spectral data and analytical intelligence available through APIs, we’re setting the standard for how labs and vendors turn unknowns into answers faster and at scale.”

Supporting automated compound analysis

The launch comes as laboratory workflows become increasingly automated and software-driven, with higher sample volumes creating demand for faster analytical processes.

By integrating spectral search, validation, classification and prediction capabilities into existing systems, laboratories can automate parts of compound identification and verification rather than carrying out each stage manually.

The APIs could therefore have applications in pharmaceutical research and development, quality control and analytical method development, where identifying or confirming chemical compounds is an important part of laboratory workflows.

Wiley said the portfolio provides a vendor-neutral approach that can work across different laboratory technologies and platforms.

The APIs are available as part of Wiley’s spectral analysis portfolio, extending its existing spectral databases into API-driven laboratory and software environments.