ACD/Labs Releases v2023 of Spectrus Software
ACD/Labs, an informatics company that develops and commercializes software in support of R&D, has announced the release of v2023 software applications on the Spectrus® Platform.
Andrew Anderson, Vice President of Innovation and Informatics Strategy of ACD/Labs, commented, “Our development efforts anticipate the needs of the R&D community while also implementing feedback from customers.
This release furthers our pursuit of supporting innovation by relieving scientists of repetitive tasks and ensuring organizations can extract maximal value from their investment in analytical data generation.
With our 30th anniversary in 2024, we are excited to continue pushing the envelope with state-of-the-art technologies—expanding the Spectrus JS portfolio of browser-based applications and introducing a low-code/no-code application for data flow and management—while continuing to improve the portfolio our customers have relied on for molecular characterization and knowledge-sharing for decades.”
The software within the Spectrus Platform is employed by lab scientists on a daily basis, to drive efficiency and confident decision making in analytical workflows. New functionality and improvements to existing tools in v2023 include:
NMR—an updated PubChem library for the faster identification of known structures, tools to support external standard quantitative NMR studies, improved reporting for complex projects, and expedited computer-assisted structure elucidation (CASE).
MS—display of all relevant information together in mass spectral search, an expansion of options for quantitation, and greater ease and flexibility in peak naming.
Chromatography—expansion of support for chromatography data systems (CDSs) to now include Agilent’s OpenLab and capabilities to ease the transfer of methods between instruments and labs.
Spectrus pairs contextualized storage of analytical knowledge with robust search capabilities to assist scientists in quickly find information. In its 2023 release, it introduces features such as the ability to review, compare, and edit analytical results across multiple experiments, expanded search options and enhanced record set management.
In response to data scientists’ needs, the new version also offers the ability to move data freely between informatics systems to reduce the intensive data engineering often necessary to make analytical data available to AI/ML and business intelligence (BI) applications.
Version 2023 has expanded export of homogenized data from the Spectrus Platform with the ability to export NMR and xC/UV/MS data to the interoperable and machine-readable JSON format.
