Reactor History of Changes
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.
- Bug relating to Reactor not starting with newer Java versions fixed
- Selectivity rule threshold also considered during ambiguity check .
- Some Linux and Mac OS related UI display bugs fixed.
- Ambiguity check now based on the number of possible distinct product instead of the number of theoretical reaction centers.
- SRU polymers support as reaction products.
- Reactor desktop application now uses the native look and feel of the operating system.
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 started enhanced stereo group numbering from 2 [bug report]
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.