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When working to characterize novel structures, or components within a mixture, it is useful to employ a well-defined strategy in which it is first determined whether the compound in question has been previously identified and structurally characterized. In this webinar we will discuss and present methods which use the capabilities of ACD/Structure Elucidator Suite to effectively tackle this issue, a process known as dereplication.
An example where this is applied is within the realm of natural products, where discovery programs are enjoying a resurgence due to the broad chemical diversity that natural product scaffolds provide. In order to be successful in this field, it is critically important to quickly and reliably separate and identify the active components in biologically derived mixtures—identified through bio-assay and/or mass spectrometry guided fractionation. Screening active compounds early in the development process allows organizations to recognize and eliminate those compounds that have been studied in the past, thereby proactively decreasing the number of structures that will need to be fully elucidated and minimizing the amount of time spent on testing.
We invite you to watch this recorded session, in which we present a complete system and workflow for dereplication by NMR that on average takes less than 15 minutes and can help ensure that the time invested in each ensuing elucidation is well spent.