End-to-end mapping of membrane transport from chemical structure to microorganisms (opens in new tab)

Membrane transport is a fundamental biological process with profound implications for pharmacology, biotechnology, and microbiology. While computational approaches have largely adopted a protein-centric perspective to annotate transportomes, inferring transport function directly from the intrinsic properties of substrates remains a major challenge. Addressing transport at the compound level enables the systematic evaluation of whether molecules undergo active transport and by which mechanisms...