Notably, both scores are designed to approach zero as the nodes approach the goal in the underlying 3D Euclidean space, framing the problem as the identification of the node with the minimum score. The information available from the partial reaction path network at each iteration step (t) is utilized to define the average score (s j,t ) and the corresponding standard iv The SOAP descriptor is evaluated using DScribe Python package. Parameters r cut = 100.0, n max = 8, l max = 6, and average="inner" are typical values. deviation (σ j,t ) for candidate node j as follows: