k among all the possible reaction pathways from the start node to the node j, which corresponds to the shortest timescale required from the start node to the node j (we calculated this shortest path using Dijkstra's algorithm 36 ). A standardized score (ξ kin j,t ) for the pool of node selection candidates at iteration step t is defined as ξ kin j,t = (χ kin j,t -µ kin j,t )/σ kin j,t , where the χ kin j,t is the logarithm of the kinetics scores (ln s kin j,t ) vii if s kin j,t ≥ 1.0 sec, otherwise 0.0, and µ kin j,t and σ kin j,t is the mean and standard deviation of χ kin j,t for all the node candidates at iteration step t. Similarly, a standardized structural similarity score (ξ str j,t ) is defined by χ str j,t = s j for all the nodes in the pool of node selection candidates, and a weighted score is introduced as follows: