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PreADMET | Prediction of ADME/Tox
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Daily Archives: January 28, 2015

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WHIM_1dWSIZ_Charge

1st 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_gWDEN_D_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSYM_G_Mass

The total symmetry of the molecule represented by directional WHIM symmetry mass descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSIZ_A_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSIZ_V_Mass

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSHA_K_Mass

The shape of the molecule represented by directional WHIM shape mass descriptors

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSYM_Un

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWSYM_Un

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWSYM_Un

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

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
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PreADMET | Prediction of ADME/Tox

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