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11th July 2019, Calculator Plugins, 19.17

New features and improvements

  • New Required HLB calculation in the HLB Predictor and its integration into MarvinSketch and cxcalc

20th June 2019, Calculator Plugins, 19.14

Bugfixes

  • NullPointerException is thrown for some D-substituted compounds during standardisation
  • Valence checking error causes normal canonical tautomer generation to fail during standardisation of some salt compounds

New features and improvements

  • Varying assignment of close pKa values in symmetric molecules with many pKa values

30th May 2019, Calculator Plugins, 19.12.0

Bugfixes

  • fixes for the normal canonical tautomer generation

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