Standardizer History of Changes

    September 8th, 2022: Structure Checker 22.16.0

    Bugfixes

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

    August 9th, 2022: Structure Checker 22.15.0

    Known issues

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

    August 3rd, 2022: Structure Checker 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 22nd, 2020: Structure Checker 20.13.0

    No changes

    LTS Release - March 30th, 2020: 20.9.0 Structure Checker (Fermium.1)

    No changes

    January 13th, 2020 Standardizer 20.1

    Bugfixes

    • Charge is not protected using the Standardizer Tautomerize action

    • Preconfigured diazonium transformation causes incorrect structures

    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.