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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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Topological electronic descriptors of all pairs

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

Topological electronic descriptors of all bonds

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

Radius of the smallest sphere, on the center of mass enclosing all atoms

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

the mean of the bond distance

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

the mean of the bond distance * Number of bonds

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

interatomic distance between the first and the last atoms of the molecule

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

the size descriptor for the distribution of atomic masses in a molecule

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

The index related the mass distribution of all atom pairs in a molecule

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

The index related the mass distribution of bonded atom pairs in a molecule

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

The 1st diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_A)

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

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