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. 2015 Jun 23;7:31. doi: 10.1186/s13321-015-0083-5

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© Mak 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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Histograms showing distributions of selected properties for all compounds contained in the MBTPsubDS1_0a dataset. HBA, HBD and TPSA stand for hydrogen bond acceptor, hydrogen bond donor and topological polar surface area respectively.