ACD/Structure Elucidator
Managing Different Kinds of Experimental Data with ACD/Structure Elucidator
ACD/Structure Elucidator provides the ability to store and retrieve analytical, structural, and property data from different instrument vendors and experiment types in one unified database that can be used to facilitate rapid elucidation and dereplication of unknown compounds.
The software included combines all the capabilities present in the ACD/1D NMR Manager, ACD/2D NMR Manager, ACD/UV-IR Manager, ACD/ChromManager, and ACD/MS Manager software modules. As a result, users can build their own in-house libraries and conveniently browse and mine the database content using a variety of search criteria. See below for a detailed list of databasing features available in ACD/Structure Elucidator.
Databasing Features
- Update the database with the experimental spectra along with their chemical structures, analysis results (table of peaks, annotation), as well as any miscellaneous information you copied to the User Data and Notes.
- Populate user databases with thousands of spectra in one step with the Group Macro batch processing tool.
- Search by full spectrum or spectral region(s), peaks, spectral parameters, chemical structure and substructure, formula, molecular weight, and user data text.
- Perform spectrum searches according to the Euclidean distance, or squared or absolute difference methods; the search hits will be ranked by HQI (Hit Quality Index).
- Control data that is entered into your corporate databases with Data Forms Manager.
- Manage remote databases through a local or global network with an Oracle-based SQL client-server system.
Read more about the processing features of ACD/Structure Elucidator by selecting the technique of interest:
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