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November 8th 2019: JChem Microservices 19.23.0

Improvements

  • New modul - Structure Checker - has been implemented providing structure checker and fixer functionalities.

October 21th 2019: JChem Microservices 19.22.0

Improvements

  • DB modul

    • Cache size decreased by 20%.

    • 15% import speed improvement.
    • 20-50% search speedup for frequent queries

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October 7th 2019: JChem Microservices 19.21.0

Improvements

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

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September 2nd 2019: JChem Microservices 19.19.0

Improvements

  • DB module

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

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June 27th, 2019: JChem Microservices 19.15.0

Improvements

  • Default timeout is lowered to 30 seconds.

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June 3rd, 2019: JChem Microservices 19.12.0

Improvements

  • DB module

    • New endpoint added: substructureHitCountEstimate

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May 7th, 2019: JChem Microservices 19.10.0

Improvements

  • Calculations modul has been extended by
    • Batch calculations

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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

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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

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January 11th, 2019: JChem Microservices 19.1.0

Improvements

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

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