JChem Choral History of Changes

    Long Term Supported Release - April 21st, 2021: JChem Choral 21.4.1 (Helium.1)

    No changes.

    March 24th, 2021: JChem Choral 21.4.0

    Improvements

    • Hit_highlight operator is implemented for highlighting hits of database search. Documentation
    • Added workaround to enable cost calculation for queries larger then the VARCHAR size limit.

    Bugfixes

    • Duplicate search could result missing hit in case of structures with repeating units.

    February 23rd, 2021: JChem Choral 21.3.0

    Improvements

    Bugfixes

    • Duplicate and full fragment search failed with some query structures if the molecule type had generic tautomerization method and some custom transformation set in its standaridzer configuration.

    February 1st, 2021: JChem Choral 21.2.0

    No changes.

    January 21st, 2021: JChem Choral 21.1.0

    Improvements

    • Significant speedup at similarity search with low or zero similarity threshold. Decreasing the threshold still slows down searches, but the effect on speed is decreased.

    December 3rd, 2020: JChem Choral 20.21.0

    No changes.

    October 29th, 2020: JChem Choral 20.20.0

    No changes.

    Long Term Supported Release - February 18th, 2021: JChem Choral 20.19.2 (Gallium.2) No changes.

    Long Term Supported Release - October 28th, 2020: JChem Choral 20.19.1 (Gallium.1)

    September 17th, 2020: JChem Choral 20.19.0

    No changes.

    September 2nd, 2020: JChem Choral 20.18.0

    Bugfixes

    • Double bond stereo information was sometimes also ignored in case of IGNORETETRAHEDRALSTEREO option.

    August 12th, 2020: JChem Choral 20.17.0

    Bugfixes

    • Queries with explicit H and any or notlist atoms didn't match the appropriate target in generic tautomer substructure search.

    July 20th, 2020: JChem Choral 20.16.0

    No changes.

    June 30th, 2020: JChem Choral 20.15.0

    Improvements

    • New, simpler syntax is available for full fragment search. Documentation

    • The use of normal canonical tautomers in full fragment search is also available . Documentation

    Dropping index is necessary before upgrade in Choral.

    June 18th, 2020: JChem Choral 20.14.0

    No changes.

    May 22nd, 2020: JChem Choral 20.13.0

    No changes.

    May 4th, 2020: JChem Choral 20.12.0

    Improvements

    • Consideration of chiral flag can be set by stereoAssumption = RELATIVE parameter in the type files. Documentation

    April 16th, 2020: JChem Choral 20.11.0

    Bugfixes

    • AIOBE could have been thrown in case of some standardizer configuration.

    April 6th, 2020: JChem Choral 20.10.0

    Improvements

    • Non-valid structures can be imported and indexed However, they won't hit any structure, including themselves.

    • New tautomerization method added to the molecule type definitions called CANONIC_GENERIC_HYBRID. Documentation

    March 23th, 2020: JChem Choral 20.9.0

    No changes.

    Long Term Supported Release - September 17th, 2020: JChem Choral 20.8.5 (Fermium.5)

    No changes.

    Long Term Supported Release - August 12th, 2020: JChem Choral 20.8.4 (Fermium.4)

    No changes.

    Long Term Supported Release - June 5th, 2020: JChem Choral 20.8.3 (Fermium.3)

    No changes.

    Long Term Supported Release - May 14th, 2020: JChem Choral 20.8.2 (Fermium.2)

    No changes.

    Long Term Supported Release - March 30th, 2020: JChem Choral 20.8.1 (Fermium.1)

    March 13th, 2020: JChem Choral 20.8.0

    Bugfixes

    • Tautomer duplicate search didn't find hits for some structures with tetrahedral stereo information.

    March 3rd, 2020: JChem Choral 20.7.0

    No changes.

    February 26th, 2020: JChem Choral 20.6.0

    Bugfixes

    • Non-polymer query was not found in polymer targets if it was matching on end groups.

    February 21st, 2020: JChem Choral 20.5.0

    No changes.

    February 7th, 2020: JChem Choral 20.4.0

    Bugfixes

    • Large structures with stereo configuration could be incorrectly handled.

    January 24th, 2020: JChem Choral 20.3.0

    Improvements

    • Searching with ignored tetrahedral stereo information has been introduced. Documentation

    Bugfixes

    • Tautomer search could give false hits with queries containing explicit Hydrogen atoms.

    January 21st, 2020: JChem Choral 20.2.0

    No changes.

    January 13th, 2020: JChem Choral 20.1.0

    Improvements

    • Technical improvements were made on the search process.

    Reindex of tables is needed.

    December 19th, 2019: JChem Choral 19.27.0

    Improvements

    • Searching compounds in materialized views with fast sync are supported by Choral.

    December 12th, 2019: JChem Choral 19.26.0

    No changes.

    November 29th, 2019: JChem Choral 19.25.0

    Improvements

    • Duplicate search takes also higher order stereo information (like axial stereo information) into account.

    Bugfixes

    • Performing joined queries including search on multiple molecular column could miss hits.

    November 15th, 2019: JChem Choral 19.24.0

    No changes.

    November 8th, 2019: JChem Choral 19.23.0

    No changes.

    October 21th, 2019: JChem Choral 19.22.0

    Improvements

    • Cache size decreased by 20% for target-type datasets.

    • 15% indexing speed improvement.

    • 20-50% search speedup for frequent queries

    Bugfixes

    October 7th, 2019: JChem Choral 19.21.0

    No changes..

    September 18th, 2019: JChem Choral 19.20.0

    Bugfixes

    • Search Engine

      • Nitrogen in marked tetrahedral stereo chiral center matched Nitrogen in unmarked chiral center.

    September 2nd, 2019: JChem Choral 19.19.0

    No changes.

    August 3rd, 2019: JChem Choral 19.18.0

    No changes.

    July 6th, 2019: JChem Choral 19.17.0

    Bugfixes

    • Create index failed on materialized views.

    July 4th, 2019: JChem Choral 19.16.0

    No changes.

    June 27th, 2019: JChem Choral 19.15.0

    No changes.

    June 24th, 2019: JChem Choral 19.14.0

    No changes.

    June 17th, 2019: JChem Choral 19.13.0

    No changes.

    June 3rd, 2019: JChem Choral 19.12.0

    No changes.

    May 21st, 2019: JChem Choral 19.11.0

    No changes.

    April 8th, 2019: JChem Choral 19.9.0

    No changes.