JChem Neo4j Cartridge History of Changes

March 3rd, 2020: JChem Neo4j Cartridge 20.7.0

No changes.

February 26th, 2020: JChem Neo4j Cartridge 20.6.0

Improvements

  • Hit count estimation was added.

Bugfixes

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

February 21st, 2020: JChem Neo4j Cartridge 20.5.0

No changes.

February 7th, 2020: JChem Neo4j Cartridge 20.4.0

Bugfixes

  • Large structures with stereo configuration could be incorrectly handled.

January 24th, 2020: JChem Neo4j Cartridge 20.3.0

No changes.

January 21st, 2020: JChem Neo4j Cartridge 20.2.0

No changes.

January 13th, 2020: JChem Neo4j Cartridge 20.1.0

Improvements

  • Technical improvements were made on the search process. Reindex in needed; see updateMode.

December 19th, 2019: JChem Neo4j Cartridge 19.27.0

No changes.

December 12th, 2019: JChem Neo4j Cartridge 19.26.0

No changes.

November 29th, 2019: JChem Neo4j Cartridge 19.25.0

Improvements

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

November 15th, 2019: JChem Neo4j Cartridge 19.24.0

No changes.

November 8th, 2019: JChem Neo4j Cartridge 19.23.0

No changes.

October 21th, 2019: JChem Neo4j Cartridge 19.22.0

Improvements

  • Cache size decreased by 20%.

  • 15% import speed improvement.

  • 20-50% search speedup for frequent queries

Bugfixes

  • Nitrogen in marked stereo configuration matched unmarked chiral center.

  • Small ring cis double bond stereo configurations were recognized as trans in case of trans perspective drawing in 3D.

Long Term Supported Release - February 20th, 2020: JChem Neo4j Cartridge 19.21.3 (Europium.3)

Long Term Supported Release - December 9th, 2019: JChem Neo4j Cartridge 19.21.2 (Europium.2)

Long Term Supported Release - October 18th, 2019: JChem Neo4j Cartridge 19.21.1 (Europium.1)

October 7th, 2019: JChem Neo4j Cartridge 19.21.0

Improvements

  • Memory need decreases in case of datasets with explicit Hydrogens.

Bugfixes

  • Sometimes searches did not stop if search wall time limit was reached.

September 18th, 2019: JChem Neo4j Cartridge 19.20.0

No changes.

September 2nd, 2019: JChem Neo4j Cartridge 19.19.0

No changes.