Report:MARPAT on STN/Search Interface/The Command Line Interface/Full Search
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Performing a Full Search
If the user is satisfied that the search is properly defined after reviewing the sample search output, and reviewing the sample search results, he/she will probably be ready to move on to the next step: a full search in the MARPAT database. (A full search is actually quite costly, and so this step should usually be approached only after a sample search has been conducted.) The figure below shows the results of a full sub-structure search (the command contains the term “SSS” for substructure search, and “FULL” to indicate that the search is over the whole file).
Note that the sample search conducted for this particular query had predicted 1 to 80 results, while the query actually returned 77 results, within the predicted range.
The EXTEND option
In the figure above showing the results of a full MARPAT search, an initial set of “42767 to iterate” is returned as the result of a “full screen search”. This means that the search algorithm is actually performing a search in two phases: first, it selects possible candidate hits via a broader “full screen” search method, constructing a sub-set of possible candidates that could match the structure query. Next, the system then proceeds to examine each of these candidates in more precise detail to determine whether they actually match the query parameters.
After a typical “FULL” search, it is not possible for the searcher to view the candidate hits that were selected after the full screen search. Indeed, normally there would be no need to examine these hits, as many of them are always rejected during the final stage of the search. However, in instances where a search query is properly defined by the user but returns no final answers after a search of the full database, the searcher would sometimes like to review these preliminary answers to get a sense of the “closest” structures that were found by the system. To accomplish this, searchers must use the EXTEND option, a setting in MARPAT that tells the system to save a record of these initial results. This option is activated by using the command “SET EXTEND ON” before running a search. It can also be turned on permanently via the command “SET EXTEND ON PERM.”
Normally, a searcher would know to set the EXTEND option to “ON” after a sample search returned 0 hits, knowing that there is a chance that a full search will return 0 hits as well. It should be noted that the EXTEND function is free, and users can repeat a search with SET EXTEND ON for a reduced fee.[1] To access the reduced fee, users must turn the EXTEND function on and "use the answer set L-number from the initial search as the search query L-number for the second search."[1]
Sources
- ↑ 1.0 1.1 American Chemical Society. MARPAT User Guide. June 2011. PDFcari website, http://www.pdfcari.com/MARPAT-User-Guide.html. Accessed July 9, 2011.
