The ACE Program
Asymmetric Catalyst Evaluation
ACE is a tool to predict the stereochemical outcome of reactions.
This program models the transition state (TS) as a linear combination of reactants and products as defined by the Hammond postulate. ACE creates the TSs from reactants and products and carries out a conformational analysis using a genetic algorithm derived from our docking program FITTED.
More details about the ACE program can be found in the references.