Pharmacology & ToxicologybioRxivPreprint
Consensus rank orderings of molecular fingerprints illustrate the most genuine similarities between marketed drugs and small endogenous human metabolites, but highlight exogenous natural products as the most important natural drug transporter substrates. bioRxiv version.
Steve O’Hagan, Douglas B. Kell
The paper compares molecular fingerprint encodings of drugs and natural products to assess structural similarities and identifies natural products as key drug transporter substrates.
DOI 10.1101/110437