New Features in IJC Q1 2020

JChem Choral cartridge is now supported by IJC

From version 20.8.0, the new JChem Choral Cartridge is supported by IJC. The new JChem Choral provides an Oracle Cartridge for the second generation JChem engine. Among its advantages include extremely fast chemical search and very quick sorting of chemical structures by relevance. It presents the frequently used chemical search functionalities like substructure search and similarity search, moreover, relevance sorting is available for both options of search capabilities. Because of structure search performed inside the database, the chemical search is performed faster, and the memory use is less in comparison with other chemical cartridges.

Detailed information about installation and administration of Choral cartridge can be found on our documentation pages here. Comparison of JChem Choral and JChem Oracle Cartridge is available here.

In Instant JChem, a new JChem Choral entity can be easily created, or an existing table can be effortlessly promoted into an IJC entity. Import into JChem Choral entity is also possible. For running search functions, a Choral index is created with default setup. Choral also offers adding new chemical terms fields, e.g. molecular weight or logP. Existing chemical terms fields can be updated or recalculated. Conversion of molecule name to SMILES string (or vice versa) is also provided. However, even though JChem Choral cartridge supports ‘hit as you draw’, this has not been implemented in Instant JChem.

New operators for decimal numbers

In version 20.8.0, the "<=" (less than or equal to) and ">=" (greater than or equal to) operators have been introduced for decimal numbers. Now, these operators are also included in drop-down lists of operators in query mode and in query builder.

Extended picklist usability

Usability of picklists has been extended. Multiple picklist items can be selected in the Picklist selector dialog using CTRL or SHIFT key. A new row is inserted, and currently registered data is updated. The selected multiple pick-list items are registered as comma-separated values into one field. This new feature enables users to simply create new values based on the current picklist items. It is applicable for string-like data types only. This new feature is available in version 20.1.0 of IJC and higher.