ACD/CNMR DB
What's New
With ACD/CNMR DB Add-on, now you can:
- Access the internal ACD/Labs database containing more entries: over 140,000 structures. The internal DB has about 1,700,000 shifts and 70,000 coupling constants for these structures.
- Access the internal ACD/Labs database containing more accurate entries. Dozens of entries from the previous version of ACD/CNMR have been eliminated from the database because they have been superseded, were ambiguous, or were shown to be "extreme outlying" points after an in-depth statistical analysis.
- Access the internal ACD/Labs database containing very recent entries. Over 2,800 entries are from articles published in the year 2001.
- Multiple database searches can now include the internal database.
- Search the internal database by nominal, average, or exact mass.
- Search the internal database for similar structures to the one you have drawn with one of five different algorithms: Tanimoto, Dice, Cosine, Hamming distance, and Euclidean distance.
- Search with more precision for stereoisomeric structures with the addition of new stereo search options.
- Substructure search query now can include Markush structures
- Customize the internal database window layout with Forms View. Lay out the database window panes according to your preference, and save your customized layout setting
- View internal database in new display mode: Table view. Table view allows you to
- Sort table data by any data column;
- Create and print reports in the Table form;
- Navigate with ease between record entries.
With ACD/CNMR DB Add-on, now you can:
- access the internal ACD/Labs database containing even more entries: 120,000 structure records. This is an increase in size of over 20% from the previous release. As a result, this database now contains about 1,500,000 chemical shift values and 60,000 coupling constants.
- access the internal ACD/Labs database containing more accurate entries: dozens of spectra and entries have been culled from the database of the previous version due to ambiguity, more recent literature values, or after analysis of "outlying data."
- access the internal ACD/Labs database containing very recent entries: over 1800 entries are referenced to literature published as recently as the year 2000.
- search through the database using an expanded list of search fields. In version 4.5, only user-defined databases could be searched by coupling constants - now that capability has been added to the ACD/Labs Internal CNMR Database.
Note: Circled above are the Search/Coupling Constants menu item; a literature reference from 2000; and the status bar showing over 120,000 records.
With ACD/CNMR DB Add-on, you can:
- access the internal ACD/Labs database containing even more entries: 67,000 structures. This an increase in size of over forty percent from previous version. This DB contains about 754,000 chemical shifts
- access the internal ACD/Labs database containing more accurate entries: dozens of spectra and entries have been culled from the database of the previous version due to ambiguity, newer work or after analysis of "outlier data"
- view even more information per entry. Besides including chemical shifts, coupling constants, original references, and solvent used (as our earlier versions did) now you will see molecular formula, molecular weight, and IUPAC name listed for each entry
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