• 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: Molecular Descriptors

You are here:
  1. Home
  2. Category "Molecular Descriptors"
  3. (Page 42)

mean information content on the symmetry along 1st principal component covariance matrix weighted by mass of the molecule atomic coordinates

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

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

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

mean information content on the symmetry along 2nd principal component covariance matrix weighted by mass of the molecule atomic coordinates

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

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

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

mean information content on the symmetry along 3rd principal component covariance matrix weighted by mass of the molecule atomic coordinates

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

The inverse of the kurtosis calculated by the fourth order moment of 1st principal component described by mass

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

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

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

The shape of the molecule represented by directional WHIM shape unweighted descriptors

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 using eigenvalue of the covariance matrix of the molecule atomic coordinates

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

The total symmetry of the molecule represented by directional WHIM symmetry unweighted descriptors

January 28, 20153D Descriptors, Molecular DescriptorsBy Young-Mook Kang, PhD
1
23456789101112131415161718192021222324252627282930313233343536373839
…4041424344…
45464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110111112113114115116117118119120121122123124125126127128
129
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