Category Archives: Molecular Descriptors

COMMA2_Qzz_Estate_cp

Estate value quadrupole moment Qzz about center of polarizability(cp)

COMMA2_Qxx_Estate_cv

Estate value quadrupole moment Qxx about center of VDW radius value(cv)

COMMA2_Qyy_Estate_cv

Estate value quadrupole moment Qyy about center of VDW radius value(cv)

COMMA2_Qzz_Estate_cv

Estate value quadrupole moment Qzz about center of VDW radius value(cv)

COMMA2_Qxx_Estate_cn

Estate value quadrupole moment Qxx about center of electronegativity(cn)

COMMA2_Qyy_Estate_cn

Estate value quadrupole moment Qyy about center of electronegativity(cn)

COMMA2_Qxx_en_ch

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

COMMA2_Qyy_en_ch

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

COMMA2_Qzz_en_ch

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

COMMA2_Qxx_en_cr

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