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. 2014 Dec 11;6:48. doi: 10.1186/s13321-014-0048-0

Figure 14.

Figure 14

Effect of a transformation on molecular properties. A) A simple transformation and the distribution of its effect on the octanol/water partition coefficient. The histogram is visually biased to positive values: on average, this transformation increases lipophilicity. B) Replacement of carbon by bromine significantly increases aquatic toxicity.