General

Reactions Discovery is a three-step workflow to find possible (side) reactions from constituent molecules:

  1. Reactive molecular dynamics based on the NanoReactor or Lattice Deformation

  2. Network Extraction using ChemTraYzer2 and geometry optimizations

  3. Product Ranking

To run Reactions Discovery in AMS2024, you need a license for Advanced Workflows and Tools.

What’s new in AMS2024?

The Reactions Discovery workflow is new in AMS2024.