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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Author Archives: Young-Mook Kang, PhD

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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_gWSYM_G_Mass

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

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_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_2dWSIZ_Charge

2nd 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_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

Balance_parameter_SA_surface

Electrostatic balance parameter on the solvent accessible surface

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_1dWSIZ_Un

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

January 28, 2015UncategorizedBy Young-Mook Kang, PhD

WHIM_2dWSIZ_Un

2nd eigenvalue of the covariance matrix 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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