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note
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1/2) = 0.009·PNSA(66.48) + 0.168·AlogP(39.92) - 0.193·Rotlbonds(14.51) + 0.001·PMI_x(7.69) - 1.091 (n = 105, r = 0.855, q = 0.836) The equation has the same descriptors as eq 4 except for an additional PMI_x. Because of simplicity and similar statistical quality, eq 4 was chosen for the final model.
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