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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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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

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

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

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

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

The total symmetry of the molecule represented by directional WHIM symmetry 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 MPEOE charge

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 MPEOE charge

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

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

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

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

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

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