JChem Microservices History of Changes

July 30th, 2019: JChem Microservices 19.7.3

No changes.

June 3rd, 2019: JChem Microservices 19.7.2

No changes.

April 11th, 2019: JChem Microservices 19.7.1

No changes.

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