In this expression, S outlier denotes the intersection of all sets, containing elements common across all specified sets. The individual sets S DFT out , S RDkit out , S Jazzy out , and S w-ECFP out represent the outliers identified in the feature spaces of D 1 , D 2 , D 3 , and D 4 , respectively. Given that each descriptor is tailored to a specific application domain, samples that consistently fail to be modeled across these domains are classified as outliers.