Additional File 6.

Supporting Figure S6: Correlation between 26 physico-chemical properties and the average AAWS of healthy mice. The average AAWS of healthy mice were correlated with the z-scale published by Sandberg and colleagues [29]. The shown correlation coefficients are Spearman-Rank-correlation coefficients. Same abbreviations were used as by Sandberg and colleagues [29]. MW (molecular weight), TLx (thin layer chromatography at various conditions), vdW (side chain van der Waals volume), NMx (NMR-proton shift at pD = x), logP (10 log (octanol/water) partition coefficient), EHOMO (energy of highest occupied molecular orbital), ELUMO (energy of lowest unoccupied molecular orbital), HOF (heat of formation), POLAR (α-polarizability), EN (absolute electronegativity), HA (absolute hardness), Stot (total accessible molecular surface area), Spol (polar accessible molecular surface area), Snp (non-polar accessible molecular surface area), HDONR (number of hydrogen bond donors), HACCR (number of hydrogen bond acceptors), Chpos (indicator of positive charge in side chain), Chneg (indicator of negative charge in side chain). Legend: Red, positive correlation coefficients; blue, negative correlation coefficients.

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Greiff et al. BMC Genomics 2012 13:79   doi:10.1186/1471-2164-13-79