• Druglikeness
  • ADME Prediction
  • Toxicity Prediction
  • Molecular descriptors
  • MDL format
  • Log In
  • Register
  • IonicLiquid
Top Menu
 
Login
LinkedinGoogle+TwitterFacebook
PreADMET | Prediction of ADME/ToxPreADMET | Prediction of ADME/Tox
PreADMET | Prediction of ADME/Tox
Just another BMDRC Sites site
Tel: +82-32-212-9550 / Fax: +82-32-212-9572webmaster@bmdrc.org209, Veritas A Hall, Yonsei University 85 Songdogwahak-ro, Yeonsu-gu, Incheon 21983, Republic of Korea
  • Home
  • About
    • Introduction
    • Description of PreADMET
    • Change History
    • Developers
    • ADME/Tox?
    • Drug Discovery
  • Druglikeness
  • ADME
  • Toxicity
  • Community
    • How-to
  • Commercial
    • PreADMET PC version 2.0
Menu back  

Category Archives: 3D Descriptors

You are here:
  1. Home
  2. Molecular Descriptors
  3. Category "3D Descriptors"
  4. (Page 31)

the inverse of the kurtosis calculated by the fourth order moment of 3rd principal component described by SlogP

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

The total density of the atoms accounted for by directional WHIM density E-state descriptors within a molecule

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

The total dimension of a molecule represented by directional WHIM size SlogP descriptors

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

1st eigenvalue of the covariance matrix weighted by SlogP of the molecule atomic coordinates, which account for the molecular size

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

2nd eigenvalue of the covariance matrix weighted by SlogP of the molecule atomic coordinates, which account for the molecular size

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

3rd eigenvalue of the covariance matrix weighted by SlogP of the molecule atomic coordinates, which account for the molecular size

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

eigenvalue ratio of 1st direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SlogP

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

eigenvalue ratio of 2nd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SlogP

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

eigenvalue ratio of 3rd direction WHIM size descriptor and sum of directional WHIM size descriptors weighted by SlogP

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

the inverse of the kurtosis calculated by the fourth order moment of 3rd principal component described by E-state

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD
1
2345678910111213141516171819202122232425262728
…2930313233…
34353637383940414243444546474849
50
Prev pageNext page
PreADMET | Prediction of ADME/Tox

COPYRIGHT © 2005 - 2017 BMDRC. | Designed by Y.-M. Kang
B138A, YONSEI ENGINEERING RESEARCH COMPLEX, YONSEI UNIVERSITY, 50 YONSEI-RO, SEODAEMUN-GU, SEOUL, REPUBLIC OF KOREA.
ZIP CODE : 03722 / Tel : 82-2-393-9550~1 / Fax : 82-2-393-9554
Bottom Menu