Standardizer History of Changes

May 4^th, 2023: Standardizer 23.7.0

Bugfixes

• Wedge clean worked incorrectly in certain cases containing vicinal chiral centers in ring systems

April 5^th, 2023: Standardizer 23.5.0

No changes.

March 10^th, 2023: Standardizer 23.4.0

No changes.

February 23th, 2023: Standardizer 23.3.0

Improvements

• Tautomerize standardizer action has parameter specifying if normal canonical tautomer or canonical tautomer is taken. Documentation

February 8^th, 2023: Standardizer 23.2.0

Improvements

• Improved chirality detection when converting to enhanced stereo.

January 25^th, 2023: Standardizer 23.1.0

Improvements

• Java 17 runtime compatibility is supported.

December 13^th, 2022: Standardizer 22.22.0

No changes.

December 1^st, 2022: Standardizer 22.21.0

No changes.

November 24^th, 2022: Standardizer 22.20.0

Improvements

• Works with Java 17 as well.

October 27^th, 2022: Standardizer 22.19.0

Bugfixes

• CVE-2022-42889 commons-text vulnerability has been fixed.

September 27h, 2022: Standardizer 22.18.0

Improvements

• A new option has been added to enforce enhanced abs stereo notation on all unlabelled stereo centers, where applicable.

LTS Release - January 19^th, 2023: Standardizer 22.17.4 (Lithium.4)

No changes.

LTS Release - November 29^th, 2022: Standardizer 22.17.3 (Lithium.3)

No changes.

LTS Release - November 9^th, 2022: Standardizer 22.17.2 (Lithium.2)

Bugfixes

• CVE-2022-42889 commons-text vulnerability has been fixed.

LTS Release - October 19^th, 2022: Standardizer 22.17.1 (Lithium.1)

No changes.

September 27h, 2022: Standardizer 22.18.0

• No changes

September 8^th, 2022: Standardizer 22.16.0

Bugfixes

• Known issue The applied standardizer actions were not always given back correctly is fixed.

August 9^th, 2022: Standardizer 22.15.0

Known issues

• The applied standardizer actions were not always given back correctly.

August 3^rd, 2022: Standardizer 22.14.0

Bugfixes

• Non-applied standardizer actions were given back as applied ones in the case of molecules with Sgroups.

Known issues

• The applied standardizer actions were not always given back correctly.

May 22^nd, 2020: Standardizer 20.13.0

No changes

LTS Release - March 30^th, 2020: 20.9.0 Standardizer (Fermium.1)

No changes

January 13^th, 2020 Standardizer 20.1

Bugfixes

• Charge is not protected using the Standardizer Tautomerize action

• Preconfigured diazonium transformation causes incorrect structures
  

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

No changes

October 7^th, 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 2^nd, 2019, Standardizer 19.19.0

Bugfixes

• Cloning Clean2DAction will now create a proper clone of TemplateBasedClean
  

June 20^th 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 30^th 2019, Standardizer 19.12.0

Bugfixes

• Fixes for the normal canonical tautomer generation
  

May 3^rd 2019, Standardizer 19.10.0

Bugfixes

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

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

No changes

April 8^th 2019, Standardizer 19.9.0

Bugfixes

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

March 8^th 2019, Standardizer 19.7.0

No changes

February 1^st 2019, Standardizer 19.4.0

Bugfixes

• Improved canonical tautomer generation
  

December 13^th 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 25^th, 2018: 18.22.1 Standardizer (Carbon.1)

September 5^th 2018, Standardizer 18.22.0

Bugfixes

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

August 24^th 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 1^st, 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 13^th, 2018: Standardizer 18.4.0

Bugfixes

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

December 5^th, 2016: Standardizer 16.12.5

Bugfixes

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

November 28^th, 2016: Standardizer 16.11.28

Bugfixes

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

July 25^th, 2016: Standardizer 16.7.25

Bugfixes

• Error in template based clean of reactions was fixed.
  

September 14^th, 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 11^th, 2015: Standardizer 15.5.11

Bugfixes

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

April 13^th, 2015: Standardizer 15.4.13

Bugfixes

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

February 2^nd, 2015: Standardizer 15.2.2

Bugfixes

• Bugfixes in * Clean 2D* action.
  

January 19^th, 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 17^th, 2014: Standardizer 14.11.17

Bugfixes

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

November 10^th, 2014: Standardizer 14.11.10

Bugfixes

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

August 4^th, 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 7^th, 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.

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