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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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Global_topological_charge_index

Global topological charge index

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

Auto_Moreau_Bruto_01_MPEOE_charge

Autocorrelation descriptor(Moreau-Bruto) order 1 weighted by MPEOE charge

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

Auto_Moreau_Bruto_00_mass

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_02_MPEOE_charge

Autocorrelation descriptor(Moreau-Bruto) order 2 weighted by MPEOE charge

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

Auto_Moreau_Bruto_01_mass

Autocorrelation descriptor(Moreau-Bruto) order 1 weighted by atomic masses

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

Auto_Moreau_Bruto_03_MPEOE_charge

Autocorrelation descriptor(Moreau-Bruto) order 3 weighted by MPEOE charge

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

Auto_Moreau_Bruto_02_mass

Autocorrelation descriptor(Moreau-Bruto) order 2 weighted by atomic masses

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

Auto_Moreau_Bruto_04_MPEOE_charge

Autocorrelation descriptor(Moreau-Bruto) order 4 weighted by MPEOE charge

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

Auto_Moreau_Bruto_03_mass

Autocorrelation descriptor(Moreau-Bruto) order 3 weighted by atomic masses

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

Auto_Moreau_Bruto_04_mass

Autocorrelation descriptor(Moreau-Bruto) order 4 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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