Energy-entropy multiscale cell correlation method to predict toluene-water log <i>P</i> in the SAMPL9 challenge.

1 This property is highly significant in assessing a molecule's bioavailability, toxicology, and pharmacological suitability, and it is, for example, part of Lipinski's rule of five. 2,3 The organic phase mimics the cell membrane that drugs would need to cross from one aqueous compartment to another.

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