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

October 7th 2019: JChem Microservices 19.21.0

Improvements

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

Bugfixes

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

September 18th 2019: JChem Microservices 19.20.0

No changes.

September 2nd 2019: JChem Microservices 19.19.0

Improvements

  • DB module

    • Double bond stereo information can be ignored during substructure search.

August 3rd, 2019: JChem Microservices 19.18.0

No changes.

July 16th, 2019: JChem Microservices 19.17.0

No changes.

July 4th, 2019: JChem Microservices 19.16.0

No changes.

June 27th, 2019: JChem Microservices 19.15.0

Improvements

  • Default timeout is lowered to 30 seconds.

June 24th, 2019: JChem Microservices 19.14.0

No changes.

June 17th, 2019: JChem Microservices 19.13.0

No changes.

June 3rd, 2019: JChem Microservices 19.12.0

Improvements

  • DB module

    • New endpoint added: substructureHitCountEstimate

May 21st, 2019: JChem Microservices 19.11.0

Bugfixes

  • Config server was not visible in Eureka.
  • Calculations modul
    • API provided superfluous fields for structure input.

May 7th, 2019: JChem Microservices 19.10.0

Improvements

  • Calculations modul has been extended by
    • Batch calculations

March 18th, 2019: JChem Microservices 19.8.0 (removed from the downloadables)

No changes.

Long Term Supported Release - July 30th, 2019: JChem Microservices 19.7.3 (Deuterium.3)

Long Term Supported Release - June 3rd, 2019: JChem Microservices 19.7.2 (Deuterium.2)

Long Term Supported Release - April 11th, 2019: JChem Microservices 19.7.1 (Deuterium.1)

March 8th, 2019: JChem Microservices 19.7.0

No changes.

February 28th, 2019: JChem Microservices 19.6.0

Improvements

  • New modul - Markush (Markush Enumeration) - has been implemented.
  • Structure manipulation modul has been extended by
    • Extractor
    • Fragmenter
    • Molecule cleaner

Bugfixes

  • Substructure search returned NaN if similarity value was requested but could not be calculated. From now on, fingerprint bit distance is returned instead of similarity value.

February 13th, 2019: JChem Microservices 19.4.0

Improvements

  • Calculations modul has been extended by
    • Topology analyser
    • Polar surface area
    • Major microspecies

February 4th, 2019: JChem Microservices 19.3.0

Improvements

  • Calculations modul has been extended by
    • HBDA
    • logD
    • pKa distribution
    • Canonical tautomerization
    • Dominant tautomerization

January 23rd, 2019: JChem Microservices 19.2.0

No changes.

January 11th, 2019: JChem Microservices 19.1.0

Improvements

  • Calculations modul has been extended by
    • Elemental analysis
    • HLB
    • Isoelecztic point
    • logP
    • pKa
    • Solubitility
    • Stereoisomer

December 14th, 2018: JChem Microservices 18.30.0

Improvements.

  • New modul - Calculations - has been implemented