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

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eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by electronegativity

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by electronegativity

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

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

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD
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PreADMET | Prediction of ADME/Tox

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