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PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
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Daily Archives: January 9, 2015

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E_state_SHsOH

Sum of hydrogen E-state for sOH type

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

E_state_S_none

Sum of E-state for non-classified atoms

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

E_state_S_negative_charged_group

Sum of E-state for (-) charged group

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

E_state_S_positive_charged_group

Sum of E-state for (+) charged group

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

E_state_S_hbond_acceptor

Sum of E-state for Hbond acceptor

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

E_state_S_hbond_donor

Sum of E-state for Hbond donor

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

E_state_SHssNH

Sum of hydrogen E-state for ssNH type

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

E_state_SHaaNH

Sum of hydrogen E-state for aaNH type

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

E_state_SHCsats

Sum of hydrogen E-state for Csats type

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

E_state_SHCHnX

Sum of hydrogen E-state for CHnX type

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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