Changing MapDB backend to MVStore approximately doubles the speed of the CREATE INDEX processes.
Similarity search did not always return hits in the order of similarity.
/var/lib/jchem-psql/store/have been hugely increased.
Performance of select statements containing conditions for several rows or tables and including substructure search is improved by up to 20 times. Documentation
Missing hits could have been experienced in tautomer duplicate search in the case of molecules with aromatic rings.
Quick relevance sorting of substructure search hits is provided by using a new chemical indextype SORTEDCHEMINDEX. Documentation
Querying with R-group structures did not work without Markush Enumeration license.
WARNING: molecule_ops.cpp:205 Cost estimation values were not calculatedhas been fixed.
is_valid_molecule, is introduced.
Memory size requirement of searches in big tables has been decreased, and further performance tuning possibilities are provided. Documentation