Page 125 - Chiral Separation Techniques

102 4 CHIRBASE: Database Current Status and Derived Research Applications using …

Fig. 4-3. Molecular similarity searching of AZT in CHIRBASE. (Compounds reported in Refs.
[7–12].)

In addition to addressing the practicalities of database maintenance, we also aim
to enhance the range of the facilities available, to make the information within
CHIRBASE more readily accessible to users. CHIRBASE contains two form-based
applications for query building designed to help novice or expert users to formulate
queries: the query menu and the automatic search tool.

4.4.1 The Query Menu

CHIRBASE provides integrated responses from single questions, as well as from
combinatorial questions constructed on the basis of any specific query correspond-
ing to one or several field(s) occurring in the database. With the molecular structure
of a sample in hand, the search can be conducted interactively from the query menu
form.
By clicking the appropriate buttons on the form, the user can combine molecular
structure queries of sample, CSP and solvent, using operators AND, OR, NOT with
data queries in one search. A query for the search of chiral separations of alpha-aro-
matic acids on any polysaccharide phases coated on silica gel providing an alpha
value superior to 1.2 is shown in Fig. 4-4.
The query menu is simple to use for answering most of the questions commonly
addressed to the database: