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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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  4. (Page 42)

WHIM_2dWSYM_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSIZ_Charge

3rd eigenvalue of the covariance matrix weighted by MPEOE charge of the molecule atomic coordinates, which account for the molecular size

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSYM_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWDEN_Mass

The inverse of the kurtosis calculated by the fourth order moment of 1st principal component described by mass

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWDEN_Mass

the inverse of the kurtosis calculated by the fourth order moment of 2nd principal component described by mass

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWDEN_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWSHA_Un

eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors using eigenvalue of the covariance matrix of the molecule atomic coordinates

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWDEN_D_Un

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSHA_Un

eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors using eigenvalue of the covariance matrix of the molecule atomic coordinates

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWSIZ_Mass

1st eigenvalue of the covariance matrix weighted by mass of the molecule atomic coordinates, which account for the molecular size

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

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