REVENG (Reverse Engineering) function: from substrate/metabolite pairs to all possible predicted metabolic paths
(since version 7.2 – CLI only)
The REVENG function in the MS7 software offers a groundbreaking solution to this issue. Users can input the chemical structure of a metabolite that has been experimentally identified. The software leverages its advanced algorithms to predict and return possible enzymatic pathways responsible for the metabolite’s formation. Moreover, REVENG classifies these pathways by assigning probability levels to each biotransformation step. This feature streamlines the process of elucidating metabolic pathways, significantly reducing the effort and resources required, and providing valuable insights for drug development and metabolism studies.