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. 2015 Nov 17;3:e1405. doi: 10.7717/peerj.1405

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© 2015 O’Hagan and Kell

This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, reproduction and adaptation in any medium and for any purpose provided that it is properly attributed. For attribution, the original author(s), title, publication source (PeerJ) and either DOI or URL of the article must be cited.

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(A) Lack of relationship between the P_app of a drug in Caco-2 cells and its greatest Tanimoto similarity to any endogenite molecule in Recon2. (B) Lack of relationship between the P_app of a drug and the number of endogenous metabolites (endogenites) in Recon2 possessing a Tanimoto similarity greater than 0.65. 187 different drugs were assessed in each case.