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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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  2. Article author Young-Mook Kang, PhD
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Auto_Moreau_Bruto_08_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 8 weighted by van der Waals radius

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_09_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 9 weighted by van der Waals radius

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_10_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 10 weighted by van der Waals radius

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_00_electronegativity_average

Average autocorrelation descriptor(Moreau-Bruto) order 0 weighted by atomic masses

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_01_electronegativity_average

Average autocorrelation descriptor(Moreau-Bruto) order 1 weighted by Pauling electronegativity

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_02_electronegativity_average

Average autocorrelation descriptor(Moreau-Bruto) order 2 weighted by Pauling electronegativity

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_03_electronegativity_average

Average autocorrelation descriptor(Moreau-Bruto) order 3 weighted by Pauling electronegativity

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_08_mass_average

Average autocorrelation descriptor(Moreau-Bruto) order 8 weighted by atomic masses

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_09_mass_average

Average autocorrelation descriptor(Moreau-Bruto) order 9 weighted by atomic masses

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD

Auto_Moreau_Bruto_10_mass_average

Average autocorrelation descriptor(Moreau-Bruto) order 10 weighted by atomic masses

January 9, 2015Leave a comment2D Descriptors, 2D Topological Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD
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PreADMET | Prediction of ADME/Tox

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