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ACD/Labs Announces Software Updates

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Credit: Joan Gamell/ Unsplash
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ACD/Labs, an informatics company that develops and commercializes software in support of R&D, has announced its annual updates across its Spectrus and Percepta platform applications.

“The increasing degree of proximity-limited scientific research and development over the last eighteen months has elevated the need for digitalized, accessible data and automated solutions,” says Andrew Anderson, VP Innovation & Informatics Strategy, ACD/Labs. “As demand increases for leveraging existing knowledge via digital means, we are developing our technology to anticipate the needs of scientists and their organizations.”

The v2021 release delivers new features and enhancements for ACD/Labs software users while aligning with current scientific IT trends. Key highlights include:

Broader integration with laboratory hardware and software for a better-integrated lab

  • Expanded support for processed data from chromatography data systems (CDSs)
  • Ability to integrate data from process chemistry sensors and probes for improved data capture enabling data-driven decisions

Democratized knowledge & accessible data with Spectrus

  • Support for a broader range of data types and structures (biologics, antibody-drug conjugates, and other complex molecules)
  • Improved search capabilities for numerical data and chemical/biochemical structures
  • Faster data access across geographic locations

Expansion of functionality in browser-based applications

  • Improved tools for systems admins
  • Soon-to-be-released Spectrus JS—the first browser-based application for processing and analysis of NMR data

New functionality for scientists

  • MS—annotate spectra with fragment structures to capture and share knowledge, and an updated peak integration algorithm
  • Chrom—avoid elution near gradient breakpoints and specify groups of peaks that are allowed to co-elute
  • NMR—improved chemical structure verification functionality and introduction of new tools to determine absolute molecular configuration
  • Property Prediction—more at-a-glance data for bulk predictions to help assess the quality of results, and significant enhancements to the interpretability of compound safety assessment in support of decision making for regulatory submissions involving ICH M7 guidelines.