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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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  2. Molecular Descriptors
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The 3rd diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_C)

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

3D Balaban index

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

Inertial shape factor

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

Topological electronic descriptors of all pairs

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

3D asphericity

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

molecular eccentricity

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

Shadow area in the XY plane

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
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PreADMET | Prediction of ADME/Tox

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