New method providing fast similarity search has been implemented. Documentation

Molecules with small rings containing double bonds could miss duplicates when duplicate search was performed.

Tautomer duplicate search could result false negative hits.

Speed of insert into indexed table has been increased.

Index creation threw exception in case of molecules having deuterium atom.

Tautomer duplicate search could result false positive hits.

Reaction search is supported from now on. Documentation

Searching structures containing rings is sped-up.

JChem PostgreSQL Cartridge is supported on a distributed PostgreSQL Citus database. Documentation

Duplicate search could result failing hits in tables indexed with chemindex.

Misleading warning: WARNING: molecule_ops.cpp:205 Cost estimation values were not calculated has been fixed.

PostgreSQL 9.5 is the only supported PostgeSQL version from now on. PostgreSQL 9.4 is only supported in JChem PostgreSQL Cartridge versions up to 2.0. Documentation

Tetrahedral stereo properties were incorrectly evaluated in case of structures where a substituent on the chiral center - e.g., on phosphorus - was connected by double bond.

Searches with joined queries and with limit <n> conditions has been improved due to cost estimation and function mode search enhancements.

Limitation of the number of jchem-psql service sessions is configurable by the administrator. Documentation

Searches combining more than three SELECT statements with logical operators could run into dead lock state.

Relevance calculation threw exception in case of polymer and query structures.

Relevance calculation could throw license exception even if the postgresql license was present.

Custom standardizer.xml applied in type definition generated exception when more than one molecules were inserted in one statement.

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

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

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

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

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.

The use of chemical terms is implemented. Documentation

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