Fig. 3From: 3D-QSAR study of steroidal and azaheterocyclic human aromatase inhibitors using quantitative profile of protein–ligand interactionsCorrelation of quantum mechanical descriptors, enthalpy of formation (ΔH, a), HOMO-LUMO gap (Δ E , b), dual descriptor (Δf(r)N, c), and smallest dual descriptor (Δf(r)S, d), with the contribution of nitrogen–heme–iron coordination to inhibition potency. The eight outliers are shown as open cycles (c)Back to article page