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. 2015 May 13;6:105. doi: 10.3389/fphar.2015.00105

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Copyright © 2015 O'Hagan and Kell.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Relationships between endogenite and marketed drug spaces as judged by self-organizing feature maps trained on marketed drugs as encoded with the MACSS encoding. (A) A self-organizing map with 100 nodes and 10 clusters, trained to convergence (3000 iterations) (left), along with a projection of endogenites onto the trained network (right). (B) The data in A replotted as a contour plot. (C) A plot as in (A) but the network was trained using the Recon2 endogenite data. (D) Contour plot of the data in (C).