General¶
Reactions Discovery is a three-step workflow to find possible (side) reactions from constituent molecules:
Reactive molecular dynamics based on the NanoReactor or Lattice Deformation
Network Extraction using ChemTraYzer2 and geometry optimizations
To run Reactions Discovery in AMS2024, you need a license for Advanced Workflows and Tools.
See also
What’s new in AMS2024?¶
The Reactions Discovery workflow is new in AMS2024.