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. 2011 Nov 23;25(12):1095–1106. doi: 10.1007/s10822-011-9478-1

Fig. 2.

Fig. 2

Comparison of two different strategies to calculate the hydrophobic center (red sphere) for compounds with halogen atoms (like perphenazine). On the left side, the hydrophobic center is calculated weighting atom positions by their contribution to logP prediction; on the right side the calculation is done with modifications presented in this study