Fig. 3From: PROXIMAL: a method for Prediction of Xenobiotic Metabolism a Representation of BPA in KEGG atom type format. Each atom is represented by a number, which corresponds to the atom order in the .mol file (downloaded from KEGG), and its KEGG atom type. b Unique BPA atoms and their adjacent and distant neighbors are listed. Each atom of BPA is considered a reaction center, which can have up to four adjacent neighborsBack to article page