DREAM: Determination of Reaction Mechanisms
DREAM is an automated computational method for the identification of stereochemically consistent atomic mappings for chemical reactions. We calculate reaction mappings that minimize either the number of bonds that break or form in the corresponding reaction mechanisms or the number of bond order changes. The web tool also provides the option to locate multiple distinct reaction mechanisms.
Submit Reaction for Processing
Please refer to the usage tutorial for details and an example.
First, E. L., Gounaris, C. E., and Floudas, C. A. Stereochemically Consistent Reaction Mapping and Identification of Multiple Reaction Mechanisms through Integer Linear Optimization. Journal of Chemical Information and Modeling, 52(1):84–92, 2012.
This work is supported by the National Science Foundation (NSF EFRI-0937706).