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. 2014 Sep 12;6:42. doi: 10.1186/s13321-014-0042-6

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© Avram et al.; licensee Chemistry Central Ltd. 2014

This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. 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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Comparative representation of desirability functions. Desirability function curves describing the three classes of pesticides: herbicides, insecticides and fungicides, in terms of MW (molecular weight), LogP (log of the octanol–water partition coefficient), HBA (number hydrogen bond acceptors), HBD (number hydrogen bond donors), RB (rotatable bonds), and arR (number of aromatic rings); dark grey –overlapping area described by the three curves; light grey – maximum area described by the three curves.