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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