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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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Delta_Chi_04_path_cluster

Difference between chi and vchi of order 4 (path/cluster)

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

Delta_Chi_05_path

Difference between chi and vchi of order 5 (path)

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

Difference_chi_00

Difference between chi for a compound and those of unbranched of order 0

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

Difference_chi_01

Difference between chi for a compound and those of unbranched of order 1

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

Difference_chi_02

Difference between chi for a compound and those of unbranched of order 2

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

Difference_chi_03

Difference between chi for a compound and those of unbranched of order 3

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

Difference_chi_04

Difference between chi for a compound and those of unbranched of order 4

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

E_state_SHCsatu

Sum of hydrogen E-state for Csatu type

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

E_state_SHAvin

Sum of hydrogen E-state for Avin type

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

E_state_SH_hydrophobic

Sum of hydrogen E-state for hydrophobic atoms

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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