• Enhancing Method Development with Software Upgrades

Chromatography

Enhancing Method Development with Software Upgrades

Aug 03 2023

Method Selection Suite is a powerful tool designed to streamline the process of analytical method development and optimisation. Consistent development of the software tools has culminated in the newest version of Method Selection Suite (v2023), to make method development easier than ever. 

Method Selection Suite is compatible with all major instruments, allowing the import and analysis of data from many different instruments. Analytical understanding is expanded by importing data from other techniques (i.e., NMR, MS, IR) and viewing data side-by-side. In v2023, data export to JSON format has been expanded to include other data you may occasionally work with (i.e., xC/UV/MS, 1D NMR, and 2D NMR). 

As always, to identify the most promising conditions, chromatographic parameters, and physicochemical properties (i.e., pKa and logD) are considered. There has been a significant expansion of the pKa classic training set to improve the accuracy in pH and logD calculations. This expansion includes the inclusion of approx. 4000 environmental, pharmaceutical, and chemical compounds, and an increase in the number of experimental pKa values to more than 40,000, among other inclusions.

Data and chromatogram visualisation have been enhanced with a new function to zoom in on peaks of interest.

Scientific collaboration between labs is invaluable and new software options in v2023 ensure seamless method transfer between labs and instruments. Improvements include the transfer of multiple methods simultaneously, varying column optimisation parameters for each method, and autogeneration of new methods with all possible combinations of varied parameters.

Once created, successful methods are stored in searchable and shareable databases, and now there are more tools available to find the data you need within database records.

Contact ACD/Labs to get a more detailed insight into all the new and improved features in Method Selection Suite (v2023), or to request a demo.

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