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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Daily Archives: January 28, 2015

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Variance of all Es solvent accessible surface

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

Average value of negative electrostatic potential on the solvent accessible 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

Solvent accessible surface area over which Vs is negative

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

Minimum electrostatic potential on the solvent accessible surface

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

A measure of the departure of a molecule from the spherical shape corresponding to VDW surface

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

The volume of a molecule calculated as the trace of the center of the probe sphere

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

The surface area of a molecule calculated as the trace of the center of the probe sphere

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

The volume of a molecular calculated by van der Waals radius

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

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