Index
Click on items for more information
Introduction
The different sections available in ChirBase
Under Browse Mode
Viewing a table of sample structures
Viewing separations in a table
Viewing the full separation data
Structure Searching
Building a structure query to retrieve exactly a given class of compounds
Searching Examples
How to
Display all the database entries
Merge, intersect, or subtract lists in the database
Find all the separations that are part of the current displayed reference
Structure search types available in ChirBase
Exact Structure Search
A Molecule Exact Structure search finds records that match your molecule query exactly.
Caution:
Do not specify the stereochemistry of your sample in order to find all the possible isomers
Substructure Search
A Molecule Substructure (SSS) search finds molecule records that contain your query as a substructure wholly within a larger structure. Your substructure query is a two-dimensional representation of a portion of a molecule (a 2D substructure).
Caution:
For many classes of compounds, the generic structure can not be directly used as a SSS query.
You must add additional query features to ensure that you retrieve exactly the class of compounds that you want.
Similarity Search
Molecule Similarity search finds records in your remote database that are structurally similar to your structure query. You can define the degree of similarity in your query to be an arbitrary value between 0 and 100 (these are not actual units). The higher the value, the more similarity.