Daylight intends to provide a comprehensive set of interoperable
Java beans customized for Daylight's databases and applications. These
tools will enable secure web-based query, exploratory data analysis and
visualization of chemical information over corporate intranets and internets
and will further be extendable and customizable by the user. The tools
will be designed to be used by the non-programmer. As seen from the figure
this toolset will consist of 3 parts. The first part will consist of a
set of query beans that will enable query creation via several techniques.
For example the user might draw a structure using a Java Grins beans, enter
text using text query widgets, or have his own programs output information
to a query bean. These query beans will be invokable on demand for creating
a query. The second part will enable the user to analyse the query results
using methods from a bank of analysis beans which could be queued. For
example one could use a Sort bean to organize the query results by increasing
activity, followed by a Oare bean to eliminate all molecules containing
a sulfonamide group that have low activity. The third tier enables choice
of different modes of visualization for the query data. For example, one
could view the query results as a hyperlinked 2D plot of the m.w against
activity. By hyperlinked, we mean that clicking on any points of interest
on the graph would bring up a tdt visualization widget containing all information
on the molecule represented by that point on that graph. Given that the
widgets will all be beans, they will be fully customizable and further
modifiable by the more sophisticated users. This will also enable creation
of your own custom widgets within any tier. Users will be able to link
beans between tiers and will therefore be able to create query to analysis
to visualization chains. They will further be able to iterate between tiers
thereby enabling exploratory analysis.