JChem PostgreSQL Cartridge History of Changes
February10th, 2016: JChem PostgreSQL Cartridge 1.8
Improvements
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Relevance sorting possibility of the search hits is provided. Documentation
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Collecting invalid molecules during sdf import and (cx)smiles/(cx)smarts import is available.
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New function, is_valid_molecule, is introduced.
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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
Improvements
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Speed of searches - compared to version 1.6 - has been increased.
Bugfixes
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Specified requirement regarding glibc version for running JChem PostgreSQL Cartridge is canceled.
October 7th, 2015: JChem PostgreSQL Cartridge 1.6
Improvements
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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
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glibc version 2.14 is needed to run JChem PostgreSQL Cartridge.
Bugfixes
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Tautomer substructure search could result false negative hits in case of aromatic structures.
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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August 14th, 2015: JChem PostgreSQL Cartridge 1.5 (version withdrawn)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
Improvements
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The use of chemical terms is implemented. Documentation
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The performance of searching with combined queries can be tuned by calibration. Documentation