“…The logSI value was calculated from -logCC 50 value and -logEC50value, as described previously (20). In order to determine the correlation coefficient, we used the data of method II and the following descriptors calculated by Dragon software ver 6.0.16 (Talete srl, Pisani, Milano, Italy): MATS5p (Moran autocorrelation of lag 5 weighted by polarizability; category, 2D autocorrelations) (21); GATS5p (Geary autocorrelation of lag 5 weighted by polarizability; category, 2D autocorrelations) (22); GATS5i (Geary autocorrelation of lag 5 weighted by ionization potential; category, 2D autocorrelations) (21); NRS (number of ring systems; category, Ring descriptors) (23); J_Dz(Z) (Balaban-like index from Barysz matrix weighted by atomic number; category, 2D matrix-based descriptors) (24); and J_Dz(m) (Balaban-like index from Barysz matrix weighted by mass; 2D matrix-based descriptors) (25).…”