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When working to characterize novel structures, or components within a mixture, it is often useful to employ modern Computer-Assisted Structure Elucidation (CASE) techniques to ensure the accuracy of the proposed structure. In this webinar we will discuss and present CASE methods using ACD/Structure Elucidator Suite to effectively elucidate and verify chemical structures.
To effectively determine the structure of a novel compound, it is important to consider all possible structural configurations, and avoid bias wherever possible. Any proposed structure should always be considered as a hypothesis, meaning care should be taken to find whether any experimental data disproves the accuracy of the structure before it is accepted as the most probable. Structure Elucidator Suite provides researchers with an efficient means of employing these techniques, proposing all possible structures and evaluating them against experimental data in an unbiased fashion. It is useful both in situations where non-computational methods are tedious and/or inconclusive, and to provide and unbiased check of manual methods for more conclusive results.