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Reactor History of Changes


March 4th, 2025: Reactor 25.1.0

Improvements

  • Reactor occasionally set wrong implicit hydrogen count for nitrogen atoms when some atoms are changed in aromatic heterocyclic rings.
  • Reactor installer now also contains the react CLI tool
  • Contractible S-groups were not handled consistently in Reactor. From now on, S-groups are expanded in the reactants before processing and kept expanded in the products as well.
  • The keyword search in Reactor GUI application did not work properly.


LTS Release March 4th, 2025: Reactor - Platinum 3 (24.4.3)

Bugfixes

  • The keyword search in Reactor GUI application did not work properly.


October 14th, 2024: Reactor 24.3.1

Improvements

  • Mac machines with ARM architecture can now run Reactor faster (in case installed with bundled java)
  • Reactor installer now also contains the react CLI tool


July 11th, 2024: Reactor 24.3.0

Bugfixes

  • CSV input files were not handled properly in Reactor desktop GUI application


LTS Release June 14th: Reactor - Osmium 2 (24.2.2)

Bugfixes

  • The default standardizer transformation for diazonium has been changed from [#6]-[#7:1]=[#7H2+:2]>>[#6][N+:1]#[N:2]
    to [#6:3]=[N+:1]=[#7-:2]>>[#6:3][N+:1]#[N:2]


June 12th, 2024: Reactor 24.1.3

Bugfixes

  • CSV input files were not handled properly in the Reactor desktop GUI application

Reactor 23.12

Bugfixes

  • A bug is fixed on the Reactor desktop UI reaction selection screen: the New and Edit buttons did not work on the main page with the previous update

Reactor 23.10

New Features and Improvements

  • Reactor requires Java 17 (or newer) version. Installers bundle Eclipse Temurin OpenJDK 17

Reactor 23.9

New Features and Improvements

  • The Reactor desktop UI is improved, a new look and feel is applied, uniformly for all operating systems

Reactor 22.11

New Features and Improvements

  • Significant performance increase for reactor when used through API, CLI or GUI - As a result of significant optimization of the core Reactor engine, it can perform large-scale combinatorial enumeration at least 10-20 times faster. This optimization includes prefiltering of non-matching reactant structures, as well as improved parallelization and caching.

Reactor 21.9

Bugfixes

  • Reactor is no longer stuck with 0% progress indicator

Reactor 21.8

Bugfixes

  • Bug relating to Reactor not starting with newer Java versions fixed

Reactor 21.4

Bugfixes

  • Reactor did not start on MacOS.

Reactor 19.11

Improvements

  • Selectivity rule threshold also considered during ambiguity check.

Bugfixes

  • Some Linux and Mac OS related UI display bugs fixed.

Reactor 19.10

Improvements

  • Ambiguity check now based on the number of possible distinct product instead of the number of theoretical reaction centers.

Reactor 17.9

Improvements

  • SRU polymers support as reaction products.

Reactor 15.8.31

Improvements

  • Reactor desktop application now uses the native look and feel of the operating system.

Reactor 15.6.22

Improvements

  • Behavior of the --single Reactor option has been fixed/improved [forum topic].
  • Removed --use-cache, --allow-duplicates, and --remove-duplicate-refs options from Reactor CLI.

Reactor 14.11.3

Bugfixes

  • Reactor started enhanced stereo group numbering from 2 [bug report]

Reactor 14.7.21

New features and Improvements

  • Product standardization was removed from Reactor application, react command line application, and Reactor Java API

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