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LTS Release - October 18th, 2019:  19.21.1 Standardizer (Europium.1)

No changes

October 7th, 2019, Standardizer 19.21.0

Bugfixes

  • HashMap creation in the constructor slowed down standardization and the map wasn't used in most of the use cases

September 2nd, 2019, Standardizer 19.19.0

Bugfixes

  • Cloning Clean2DAction will now create a proper clone of TemplateBasedClean

June 20th 2019, Standardizer 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

May 30th 2019, Standardizer 19.12.0

Bugfixes

  • Fixes for the normal canonical tautomer generation

May 3rd 2019, Standardizer 19.10.0

Bugfixes

  • False negative tautomer search hit for some molecules due to incorrect generic tautomer pairs

LTS Release - April 11th, 2019:  19.7.1 Standardizer (Deuterium.1)

No changes

April 8th 2019, Standardizer 19.9.0

Bugfixes

  • Incorrect generic tautomer pairs where generated during tautomer search for certain molecules

March 8th 2019, Standardizer 19.7.0

No changes

February 1st 2019, Standardizer 19.4.0

Bugfixes

  • Improved canonical tautomer generation

December 13th 2018, Standardizer 18.30.0

Bugfixes

  • Incorrect standardized forms of some ChemBL compounds and salts 
  • Fixing some Exception in charge calculations during standardization

LTS Release - September 25th, 2018:  18.22.1 Standardizer (Carbon.1)

September 5th 2018, Standardizer 18.22.0

Bugfixes

  • Incorrect Exception is thrown when molecule with valence error is standardized

August 24th 2018, Standardizer 18.21.0

Bugfixes

  • Amine compounds lose stereo flags during tautomerization in standardization processes (in Standardizer)
  • H atom is added to the generated resonant structure of heterocyclic compounds during standardization (in Standardizer)
  • Incorrect standardized (normal canonical tautomer) forms of stereoisomers of sulphur compounds

August 1st, 2018: Standardizer 18.18.0

Bugfixes

  • De-aromatization of a large ring with N fails
  • Standardization (tautomerization) results of the same molecule coming from DB sources are different

February 13th, 2018: Standardizer 18.4.0

Bugfixes

  • Command Line Interface problem: Only the user interface can be started from command prompt.

December 5th, 2016: Standardizer 16.12.5

Bugfixes

  • Strip salts action can be applied to exact matches considering also the explicit H cases. 

November 28th, 2016: Standardizer 16.11.28

Bugfixes

  • Strip salts action was changed to remove salts only in case of exact isotope matching. 

July 25th, 2016: Standardizer 16.7.25

Bugfixes

  • Error in template based clean of reactions was fixed.

September 14th, 2015: Standardizer 15.9.14

Improvements

  • Standardizer command line application returns proper exit status code if Standardizer license is missing or is invalid.

June 22th, 2015: Standardizer 15.6.22

Bugfixes

  • Strip salts action doesn't remove all components from the molecule. It leaves at least one component, even if it is a salt defined in the salt dictionary.

May 11th, 2015: Standardizer 15.5.11

Bugfixes

  • Mixture brackets were removed when Transform action modified a structure inside the mixture brackets.

April 13th, 2015: Standardizer 15.4.13

Bugfixes

  • Ungroup S-groups action removed coordinate bonds from ferrocene.

February 2nd, 2015: Standardizer 15.2.2

Bugfixes

  • Bugfixes in Clean 2D  action.

January 19th, 2015: Standardizer 15.1.19

Bugfixes

  • Partial 2D clean (Clean 2D  action) did not work.
  • Clean 3D  action did not work in Standardizer application and Standardizer command line application. Clean 3D did not work via API when final clean was invoked.

November 17th, 2014: Standardizer 14.11.17

Bugfixes

  • Clean 2D action options were not shown in Standardizer configuration editor.

November 10th, 2014: Standardizer 14.11.10

Bugfixes

  • Renaming Transform actions did not work in some cases. [error report]

August 4th, 2014: Standardizer 14.8.4

Bugfixes

  • Some standardizer actions (Transform, Strip Salts, Remove Solvents) required Structure Search license besides Standardizer license.

July 21th, 2014: Standardizer 14.7.21

New features and Improvements

  • Convert Wedge Interpretation standardizer action was removed from Standardizer. Remove it from all of your standardizer configurations.

July 7th, 2014: Standardizer 14.7.7

New features and Improvements

  • More convenient solvent removal with the new Remove Solvents action.

Bugfixes

  • Standardizer requires significantly less memory. Occasional out of memory errors were eliminated.
  • GUI layout fixes.

Please visit this page for History of changes relating older JChem versions.