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. 2015 Dec 29;7:63. doi: 10.1186/s13321-015-0110-6

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© Lusci et al. 2015

Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.

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Fig. 7 — IRV Interpretability. A test molecule is shown at center, along with its neighbors and their influences. Each neighbor’s influence factors into the overall vote determining the predicted activity of the test molecule. This test molecule has been experimentally determined as active, and is predicted by IRV to be active given its neighbors and their influences