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

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WHIM_1dWSHA_Vdw

eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by VDW radius

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSIZ_Vdw

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWSIZ_Vdw

2nd eigenvalue of the covariance matrix weighted by VDW radius of the molecule atomic coordinates, which account for the molecular size

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWSIZ_Vdw

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWDEN_D_Pol

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_gWSYM_G_Pol

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWDEN_Charge

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWDEN_Charge

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWDEN_Charge

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_3dWSYM_Charge

mean information content on the symmetry along 3rd principal component covariance matrix weighted by MPEOE charge 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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