Category Archives: Molecular Descriptors

COMMA2_Qyy_pol_ce

Polarizability quadrupole moment Qyy about center of E-state value(ce)

COMMA2_Qzz_vdw_mc

VDW radius quadrupole moment Qzz about molecular centroid

COMMA2_Qzz_pol_ce

Polarizability quadrupole moment Qzz about center of E-state value(ce)

COMMA2_Qxx_vdw_cm

VDW radius quadrupole moment Qxx about center of mass(cm)

COMMA2_Qxx_pol_ch

Polarizability quadrupole moment Qxx about center of SlogP fragment parameter(ch)

COMMA2_Qyy_pol_ch

Polarizability quadrupole moment Qyy about center of SlogP fragment parameter(ch)

COMMA2_Qzz_pol_ch

Polarizability quadrupole moment Qzz about center of SlogP fragment parameter(ch)

COMMA2_Qxx_pol_cr

Polarizability quadrupole moment Qxx about center of SMR fragment parameter(cr)

COMMA2_Qyy_pol_cr

Polarizability quadrupole moment Qyy about center of SMR fragment parameter(cr)

COMMA2_Qzz_pol_cr

Polarizability quadrupole moment Qzz about center of SMR fragment parameter(cr)