Volume 1 Chapter 2 Fundimental Concepts
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The following types of search queries can be handled by QUEST and QUEST3D:
- 1D Text Search
- Find all entries for which F.A.Cotton is an author
- 1D Numeric Search
- Find all entries for which the calculated density > 10.0 g.cm-3
- 2D Chemical Connectivity Search
-
- (a) Identity Search
- Find if the database contains the following compound:
-
- (b) Substructure Search
- Find all entries in the database containing the fragment :
-
- (c) Similarity Search
- Find the 50 entries in the database whose chemical structures are most
similar to :
The following type of search query can be handled only by QUEST3D:
- 3D Crystal Connectivity Search
- Find the average N-C-S bond angle in the fragment below,
where the 5-membered ring, if substituted, has only acyclic substituents:
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Volume 1 Chapter 2 The Instruction Document.