The Multiple Substructure Search enables one to search compounds by including or excluding FGROUP or SUBSTRUCTURE entries.
Step 1: Cookies have to be enabled.Each FGROUP entry has an ID number and one or more names, which can be searched using the Text-search option. Other search options are described below. To begin the search, click on the hyperlink describing the type of search you want to perform.
Method | Explanation | Detail |
Text search | Looking up FGROUPs by name or ID | (Help) |
Tree search | Hierarchical classification tree based on elements and topology | |
Structure search | based on elements, electrostatic and physicochemical properties | (Help) |
All SUBSTRUCTURE entries have ID numbers to be looked up by Text-search option. Some of them have links to FGROUP entries, by which SUBSTRUCTURE entries can be found. There is another option to look up SUBSTRUCTURE entries:
Method | Explanation | Detail |
Text search | Looking up SUBSTRUCTUREs by ID | (Help) |
Structure search | based on elements, electrostatic and physicochemical properties | (Help) |