ACD/ChromGenius
Select Optimal Generic Methods Based on Chemical Structure Without Screening
 Click image to magnify Generic methods are useful for fast and effective selectivity screening, as well as for LC/MS sample analysis. Instead of screening an entire set of generic methods, chromatographers can now choose the most appropriate generic method for a sample prior to injection, targeting resolution, retention, or both based on the structures of known or expected sample compounds. You can increase sample throughput, improve the quality of your separations, and decrease instrument downtime with ACD/ChromGenius. The software allows you to clearly see which methods will work, and which will fail, before you perform the separation and sample preparation.
ACD/ChromGenius uses a knowledge base of structures and retention times for known compounds as a basis to predict retention times and chromatograms for new compounds based on chemical structure. Predictions are powered by Advanced Chemistry Development's industry-standard physicochemical prediction software. Simply draw the compounds to be separated, and ACD/ChromGenius simulates the separation for each generic method. In just a few seconds, the methods are ranked according to suitability and displayed with a simulated chromatogram, and a table of predicted retention times.
ACD/ChromGenius can be trained with new methods and structures. Simply enter experimental retention times, peak widths, and asymmetries into a ChromGenius database with the structures, and provide the basis for predictions on your preferred methods. The prediction accuracy increases with the size of the database.
In addition, ACD/ChromGenius may also be used to increase the confidence of structure verification, and increase the efficiency of structure elucidation for LC/MS experiments, or in high-throughput analyses. Chromatographic retention times can be used to differentiate between different structures when the molecular weight is the same.
See the Key Capabilities of ACD/ChromGenius.
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