Category Archives: Molecular Descriptors

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3D Harary index

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

The 3rd diagonal element of inertia tensor matrix with respect to axes which go through the center of gravity of mass in a molecule (I_C)

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

3D Balaban index

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

Inertial shape factor

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

Topological electronic descriptors of all pairs

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

3D asphericity

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

AI_SaaS

Sum of AI value for aaS type

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

AI_SdssS

Sum of AI value for dssS type

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

AI_SddssS

Sum of AI value for ddssS type

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

AI_SsCl

Sum of AI value for sCl type

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