JChem Choral History of 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 - May 14th, 2020: JChem Choral 20.8.2 (Fermium.2)

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

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.