Fig. 3

The prediction process for an example pathway. \(P_B\) and \(P_C\) are probabilities of reactions that would transform compound A to compounds B and C, respectively. \(P_D\) and \(P_E\) are probabilities of reactions that would transform compound B to compounds D and E, respectively. A hypothetical probability threshold x is used to demonstrate how compounds C and D are pruned from the pathway