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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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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

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

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

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

eigenvalue ratio of 2nd 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

eigenvalue ratio of 3rd 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

mean information content on the symmetry along 1st principal component covariance matrix weighted by VDW radius 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 MPEOE charge

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 MPEOE charge

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 MPEOE charge

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

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