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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Category Archives: 3D Descriptors

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  4. (Page 28)

Mass quadrupole moment Qzz about center of mass(cm)

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

Mass quadrupole moment Qxx about center of charge(cc)

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

The shape of the molecule represented by directional WHIM shape SMR descriptors

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

Mass quadrupole moment Qyy about center of charge(cc)

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

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

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

Mass quadrupole moment Qzz about center of charge(cc)

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 SMR

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 SMR

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

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

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

mean information content on the symmetry along 2nd principal component covariance matrix weighted by SMR 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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