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. 2017 Jun 14;9:39. doi: 10.1186/s13321-017-0223-1

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© The Author(s) 2017

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. 8 — Unmapped atoms. Occasionally, ICMAP leaves some atoms unmapped. In this ICMAP prediction (VMH ID: MVLACc), the oxygen atoms in Mevalonate (VMH ID: mev_R) that are indicated in blue, may map to the water molecule (VMH ID: h2o) or the 4-hydroxy-4-methyl-2-oxanone molecule (VMH ID: mvlac)