A Topological and Spatial Analysis of FDA‐Approved Drugs, Blood‐Brain Barrier Permeants, Natural Products, and Metabolites
In this study, we present a comprehensive structural analysis of four distinct chemical libraries: FDA‐approved drugs, blood‐brain barrier (BBB) permeable agents, natural products (UNPDA), and human metabolites. Our multidimensional profiling reveals fundamental divergences in molecular architecture. While synthetic dr...