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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Category Archives: Molecular Descriptors

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  2. Category "Molecular Descriptors"
  3. (Page 88)

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_10_polarizability_average

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

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_00_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 0 weighted by van der Waals radius

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_01_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 1 weighted by van der Waals radius

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_02_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 2 weighted by van der Waals radius

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

Auto_Moreau_Bruto_03_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 3 weighted by van der Waals radius

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

Auto_Moreau_Bruto_04_VDW_radius_average

Average autocorrelation descriptor(Moreau-Bruto) order 4 weighted by van der Waals radius

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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