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Enhancing Data Analysis Platforms

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ACD/Labs, an informatics company that develops and commercializes analytical and chemical knowledge management solutions in support of R&D, has announced significant updates across its Spectrus and Percepta platforms to help scientists improve data analysis, uniquely unify information, and improve overall organizational collaboration and decision making. This release offers enhancements for scientists across a variety of industries, including pharma/biotech, agrochemicals, petrochemicals, consumer packaged goods, and more.

A variety of software enhancements are included.

Decision support for chemistry, manufacturing and controls (CMC)—v2019 of Luminata includes a significant expansion of functionality to support drug substance and drug product stability testing, formulation development, and lot/batch tracking in addition to impurity control and route/process optimization.

Improved data analysis and analytical knowledge management—as a cornerstone of the Spectrus platform, v2019 includes expansion of instrument vendor data format support. In addition, several enhancements have been implemented across the analytical techniques and workflows supported by Spectrus applications:

  • NMR - introduction of “targeted profiling” offers streamlined analysis of 1D mixture spectra. Scientists will also benefit from the enhanced speed and accuracy of ACD/Labs’ NMR Predictors along with improvements to data processing tools.
  • LC/MS - in response to MS technology enhancements and customer requests, v2019 software offers greater flexibility in the analysis and review of MSn data, more efficient spectral searching for dereplication workflows, and more intuitive management of LC/UV/MS information.
  • Method development and optimization - in addition to expanded method screening, optimization, and reporting options for reversed-phase separations, ACD/Labs’ chromatography applications now provide greater support for mixed-mode and HILIC experiments.

Continued development of industry-leading chemical nomenclature—v2019 includes the capability to name branched ring assemblies of chemical structures. ACD/Labs’ nomenclature algorithms are improved every year to expand support of compound classes and further increase naming accuracy.

Software architecture update to 64-bit—upgrading ACD/Labs’ entire line of software applications to 64-bit eliminates any technological limitations scientists may face such as the import/export of large LC/MS datasets.