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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Category Archives: Molecular Descriptors

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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 VDW radius

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

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