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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Category Archives: 2D Topological Descriptors

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  4. Category "2D Topological Descriptors"
  5. (Page 75)

E_state_SssCH2

Sum of E-state for ssCH2 type

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

E_state_SssNH2

Sum of E-state for ssNH2 type

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

E_state_StCH

Sum of E-state for tCH type

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

E_state_SdNH

Sum of E-state for dNH type

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

E_state_SdsCH

Sum of E-state for dsCH type

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

E_state_SssNH

Sum of E-state for ssNH type

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

Ring_degree_distance_index

Ring degree-distance index

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

Harary_index

The sum of the reciprocal distances between any two atoms in the molecule

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

Rouvray_index

The total sum of the elements of the distance matrix

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

Hyper_Wiener_index

2D hyper-Wiener index

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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