JChem PostgreSQL Cartridge History of Changes

February10th, 2016: JChem PostgreSQL Cartridge 1.8


  • Relevance sorting possibility of the search hits is provided. Documentation

  • Collecting invalid molecules during sdf import and (cx)smiles/(cx)smarts import is available.

  • New function, is_valid_molecule, is introduced.

  • Memory size requirement of searches in big tables has been decreased, and further performance tuning possibilities are provided. Documentation

October 20th, 2015: JChem PostgreSQL Cartridge 1.7


  • Speed of searches - compared to version 1.6 - has been increased.


  • Specified requirement regarding glibc version for running JChem PostgreSQL Cartridge is canceled.

October 7th, 2015: JChem PostgreSQL Cartridge 1.6


  • From now on, search engine in JChem PostgreSQL Cartridge works on vague bond level half. Previously, it worked on vague bond level 0.

Known issue

  • glibc version 2.14 is needed to run JChem PostgreSQL Cartridge.


  • Tautomer substructure search could result false negative hits in case of aromatic structures.

  • Index entries were overridden by each other in some cases resulting loss of hits.

August 14th, 2015: JChem PostgreSQL Cartridge 1.5 (version withdrawn)

July 27th, 2015: JChem PostgreSQL Cartridge 1.4


  • The use of chemical terms is implemented. Documentation

  • The performance of searching with combined queries can be tuned by calibration. Documentation