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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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The quadrupole moment zz component about center of mass (MPEOE charge)

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

Solvent accessible surface area over which Vs is positive

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

Maximum electrostatic potential at the VDW surface

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

Solvent accessible surface area over which Vs is negative

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

Minimum electrostatic potential at the VDW surface

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

Average value of positive electrostatic potential on the solvent accessible surface

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

The ratio of the longest to the shortest side of a rectangle having the minimum area

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

Molecular thickness

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

Mass density

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

Shadow area in the XZ plane

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

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