Vendor-independent chromatography software enables scientists to retrieve starting methods, predict retention times, and model the separation of new compounds
Advanced Chemistry Development announces the release of version 7.0 of ACD/Method Development suite.
This vendor-independent chromatography software enables scientists to retrieve starting methods, predict retention times, and model the separation of new compounds.
Developed for separation scientists, ACD/Labs software accelerates the selection of an optimal separation method at any stage based on expected chemical structures in the sample, and can help to unite data and knowledge within the laboratory setting so that the efficiency of prediction is increased with each new compound being studied.
ACD/Method Development suite is composed of ACD/ChromManager, ACD/LC Simulator, and ACD/GC Simulator to allow separation scientists to use previously developed methods or to develop new chromatographic methods for their sample.
ACD/ChromManager provides processing and databasing tools, integrated chemical structure handling, and a chromatographic database in the form of the ACD/Chromatography applications database.
This structure-enabled database includes complete information for 4410 HPLC, GC and CE separations in version 7.0, including a number of chiral separations, full method details, and assigned chemical structures for each chromatogram.
"The addition of many applications and collaborators in the ACD/Chromatography applications database has greatly increased the chance for scientists to select a suitable starting point for method development prior to the first injection," said Michael McBrien, chromatography product manager at ACD/Labs.
Extensive substructure and structure similarity search capabilities allow users to retrieve suitable separation methods for compounds structurally related to their own.
Prior to the first chromatographic run, accurate retention times can be predicted based on chemical structures and available chromatographic conditions with version 7.0 of ACD/ChromManager. This will dramatically reduce wasted materials and iterative experiments.
Once optimal selection methods for a compound have been selected, separation scientists can use ACD/LC Simulator or ACD/GC Simulator to create optimal conditions for their compound with regard to composition of elution, buffer, gradient, temperature, salt concentration, and column characteristics. Suitability maps can be generated, optimising suitability conditions with respect to run time, resolution, and robustness. ACD/LC Simulator version 7.0 features enhanced method optimisation capabilities such as the ability to simultaneously use one to 25 experimental chromatograms, eliminating the need to have chromatograms for each pair of optimizing eluting factor values in 2D optimisation modes.
