Feature Parade for Instant JChem 5.8.0

This page describes new features in IJC 5.8.0. See here for a description of other versions. IJC 5.8.0 was a major feature upgrade:

• Database
• Connect to schema
• Box plot widget
• Personal server
• Form builder
• Scripting
• Query
• Markush

Database

Derby database upgraded to version 10.8.1.2

You are prompted to confirm that you want this update to happen. It is only relevant for local databases. Once updated the database cannot be opened in older versions of IJC.

LOGIN_COUNT column added to IJC_USER table

This records the number of times each user logs in to IJC. You must use SQL to see this data, it is not displayable directly in IJC.

Configurable connection pool parameters

The connection pool parameters have been changed to reduce number of permanent database connections. These settings can be configured. More information on configuration can be found in the user guide.

Connect to schema

Single user mode removed

Administrator can make changes to the IJC schema at their own risk while other users are connected. Only a single administrator can be making changes at one time.

Box plot widget

This is a new IJC VIz widget that allows distributions of values to be displayed graphically. Its useful for displaying how the distributions of values changes for a particular variable. the example below shows how logPs of the current molecules vary according to the number of hydrogen bond donors. Using the box plot you can immediately see a trend. of

More information on this widget can be found in the user guide.

Personal server

Personal server is server that can be started in IJC that providing access to IJC data through RESTful web services. The data format used is OData, a protocol pushed by Microsoft and becoming popular in the pharmaceutical sector.

Personal server lets you start a OData server for a single IJC schema and retrieve data from that running server. This is used in a Tibco Spotfire plugin that ChemAxon have developed that provides integration between IJC and Spotfire.

More information on personal server and the Spotfire integration can be found in the user guide.

Form builder

• Conditional formatting does not mask selection in table widget or grid view
• Row height of sheet widget is configurable
• Form definitions are loaded when needed, rather than at start

Scripting

• Groovy version updated to 1.8.4
• Various improvements to script editor
• Improved documentation and examples. See here

Query

The ability to specify a chemical terms filter in form based query was added. Previously this could only be done with the query builder.

Markush

Search options can now be specified during Markush enumeration. This allows search options to be specified when do Markush reduction according to the hit.