ACD/PNMR

Version 5.0 to 6.0

ACD/PNMR contains the following new features:

• The internal ACD/Labs database now contains over 20,100 records, and represents more classes of structure types than the previous version. Over 450 entries are from references from the year 2000, and 22 from 2001.
• The internal ACD/Labs database contains more accurate entries: several entries from the previous version have been eliminated from the database because they have been superseded, were ambiguous, or were classified as "extreme outlying" points following an in-depth statistical analysis.
• Search the internal database by nominal, average, or exact mass.
• Search the 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 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 entries.

Version 4.5 to 5.0

ACD/PNMR contains the following new features:

• The internal ACD/Labs database contains more entries (19,000 records) and represents more classes of structure types than previously. Over 100 entries are from references as recent as 2000.

• The internal ACD/Labs database contains more accurate entries: several entries from the previous version have been eliminated from the database because they have been superseded, were ambiguous, or were classified as "extreme outlying" points following an in-depth statistical analysis.
• The substructure search has been improved and significantly speeded up.
• Now you can search on several drawn substructure fragments at a time. ACD/PNMR treats multiple search structures simultaneously as an "OR" search.
• Multiple Record View of database entries can be done after a search, thereby assisting comparison and summary. The displayed data fields, the font, and the zoom level can be chosen after right-clicking to access the pop-up menu.