This page displays the result of the latest search.
Initially (before the first search) the hit set contains all structures of the table.
The structures are displayed on the right in a Marvin View applet.
Please click
here
for help on using the viewer.
Input Parameters
Search type defines the way compounds are searched. Options:
Dissimilarity threshold is a parameter of Similarity search. It specifies the higher limit of dissimilarity between the query and the database molecule. If the dissimilarity value is lower or equal to the threshold, then the query structure and the given database structure are considered similar.
Max. hits specifies an upper limit for the number of molecules the search engine is allowed to find.
Max. time specifies an upper limit for the length of time the search may take.
Search prev. results allows to perform a search on the hits of previous searches.
Use Substructure hit coloring to highlight the matching substructure part of the target structures.
Use Hit alignment to rotate the hits relative to the contained query substructure.
Use Return non-hits (inverse result set) to display structures that do not match the query conditions.
The fields under Conditions can be used to add extra conditions referring to non-structural data in the database table.
The Chemical Terms Filter can be used to add a complex set of rules to the search criteria. You can choose a few example filters with the help of the combo box. Please see the Chemical Terms Language Reference for more details.
Comments
Automatically displayed Hydrogen atoms and charges will not be used in the query.
Searching common structures that occur frequently in the database might take considerable time.