Table S7. Six Different Molecular Descriptors and Denotations Used in the Present Study

Table S7. Six different molecular descriptors and denotations used in the present study.

Symbol / Definition / Class / RBF / HATS8e / R8u+ / R7p+ / E1e / Mor15u
RBF / Rotatable bond fraction / Constitutional / 1.0000
HATS8e / leverage-weighted autocorrelation of lag 8/weighted by atomic Sanderson electronegativities. / GETAWAY / 0.3259 / 1.0000
R8u+ / R maximal autocorrelation of lag 8/unweighted / GETAWAY / 0.2920 / 0.8216 / 1.0000
R7p+ / R maximal autocorrelation of lag 7/weighted by atomic polarizabilities / GETAWAY / 0.2473 / 0.7169 / 0.8842 / 1.0000
E1e / 1st component accessibility directional WHIM index/weighted by atomic Sanderson electronegativities / WHIM / 0.1333 / 0.1996 / 0.2657 / 0.0279 / 1.0000
Mor15u / 3D-MoRSE - signal 15/unweighted / 3D-MoRSE / 0.9002 / 0.1444 / 0.1026 / 0.0828 / 0.1283 / 1.0000