Thanks to the exceptionally rapid search in millions of reaction categories CLASSIFY can be used to:
- organize large reaction databases (e.g. select subsets of reactions, define groups of analogous reactions in large sets, etc.)
- organize large hit lists of reactions
- provide a unique identifier to link different reaction databases in a chemically intelligent way
CLASSIFY considers the structural environment in spheres around the reacting centers (calculated with the integrated algorithm ICMAP) and combines center and structural information in a unique identifier (the "ClassCode"), which characterizes the chemical transformation occurring in the reaction.