JChem Microservices History of Changes

May 29th 2020: JChem Microservices 19.21.5

No changes.

March 17th 2020: JChem Microservices 19.21.4

No changes.

February 20th 2020: JChem Microservices 19.21.3

No changes.

December 9th 2019: JChem Microservices 19.21.2

No changes.

October 18th 2019: JChem Microservices 19.21.1

No changes.

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 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