DORA-XGB: An improved enzymatic reaction feasibility classifier trained using a novel synthetic data approach

Authors: Yash Chainani, Zhuofu Ni, Kevin M. Shebek, Linda J. Broadbelt, and Keith E.J. Tyo

This public repository holds the code to reproduce our work in developing DORA_XGB reaction feasibility classifiers by synthetically generating negative data from known enzymatic reactions. In order to deploy our DORA_XGB models to predict the feasibility of reactions, visit https://github.com/tyo-nu/DORA_XGB