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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Category Archives: 3D Descriptors

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  3. Category "3D Descriptors"
  4. (Page 35)

WHIM_3dWDEN_Vdw

the inverse of the kurtosis calculated by the fourth order moment of 3rd principal component described by VDW radius

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWSYM_En

mean information content on the symmetry along 1st principal component covariance matrix weighted by electronegativity of the molecule atomic coordinates

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSIZ_T_Vdw

The total dimension of a molecule represented by directional WHIM size VDW radius descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWSYM_En

mean information content on the symmetry along 2nd principal component covariance matrix weighted by electronegativity of the molecule atomic coordinates

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSIZ_A_Vdw

The total dimension of a molecule represented by directional WHIM size VDW radius descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSYM_En

mean information content on the symmetry along 3rd principal component covariance matrix weighted by electronegativity of the molecule atomic coordinates

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSIZ_V_Vdw

The total dimension of a molecule represented by directional WHIM size VDW radius descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSHA_K_Vdw

The shape of the molecule represented by directional WHIM shape VDW radius descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSYM_G_Vdw

The total symmetry of the molecule represented by directional WHIM symmetry VDW radius descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWDEN_D_Vdw

The total density of the atoms accounted for by directional WHIM density VDW radius descriptors within a molecule

January 28, 2015UncategorizedBy Young-Mook Kang, PhD
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PreADMET | Prediction of ADME/Tox

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