Table 1.

Selected computational models of skin permeation.

Equation	n	R	Ref.
log kp = −1.36 Δlog Poct-hept− 3.38	21	0.90	[4]
log Kp = −6.3 + 0.71 log Pow − 0.0061 Mw	93	0.82	[6]
log Kp = 0.82 log Pow − 0.0093 VM − 0.039 MPt − 2.36	60	0.95	[8]
log Kp = 0.84 log Pow − 0.07 (log Pow)2 − 0.27 Hb − 1.84 log Mw + 4.39	22	0.98	[23]
log Kp = 0.652 log Pow − 0.00603 Mw − 0.623 ABSQon − 0.313 SsssCH − 2.30	143	0.95	[13]
log Kp = −5.426 − 0.106 E − 0.473 S − 0.473 A − 3.000 B + 2.296 V	119	0.91	[12]
log Kp = −3.05 − 0.0065 QXXp + 0.65 ALOGP − 1.75 Neoplastic-80 + 0.22 F06[C-N]	158	0.91	[14]
log Kp = −5.426 − 0.106 E − 0.473 S − 0.473 A − 3.000 B + 2.296 V	119	0.91	[12]
log Kp = −5.048 − 0.586 π2H − 0.633Σα2H − 3.481 Σβ2H + 1.787 V	46	0.98	[10]

Where: log P_ow—octanol-water partition coefficient; Δlog P_oct-hept—the difference between logarithms of octanol-water and heptane-water partition coefficients; M_W—molecular weight; V_M—molecular volume; M_Pt—melting point; SsssCH—sum of E-state indices for all methyl groups; ABSQon—sum of absolute charges on nitrogen and oxygen atoms; H_b—total H-bond count; A, B, S, E, V—Abraham’s solvation parameters (A—hydrogen bond acidity; B—hydrogen bond basicity; S—dipolar interactions; E—excess molar refractivity; V—McGowan’s characteristic volume); Neoplastic-80—antineoplastic-like property at 80% similarity; ALOGP—log P_ow calculated using ALOGP algorithm; F06[C-N]—frequency of carbon-nitrogen bond at a topological distance of 06; QXXp—electrostatic interactions between electric quadrupoles of van der Waals forces; π₂^H—solute dipolarity/polarizability; Σα₂^H—solute overall hydrogen-bond acidity; β₂^H—solute overall hydrogen bond basicity.