ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

Geometric descriptors (12)

1 W3DH 3-D Wiener index based geometrical distance matrix (including Hs)
2 W3D 3-D Wiener index based geometrical distance matrix (Not including Hs)
3 Petitj3D Petitjean Index based on molecular geometrical distance matrix
4 GeDi The longest distance between two atoms (geometrical diameter)
5 grav1 Gravitational 3D index
6 rygr Radius of gyration
7 Harary3D The 3D-Harary index
8 AGDD The average geometric distance degree
9 SEig The absolute eigenvalue sum on geometry matrix
10 SPAN The span R
11 ASPAN The average span R
12 MEcc The molecular eccentricity


Visits since Mar 3, 2015

Copyright @ 2012- Computational Biology & Drug Design Group,
School of Pharmaceutical Sciences, Central South University. All rights reserved.

The recommended browsers: Safari, Firefox, Chrome, IE(Ver. >8).
ChemDes by CBDD Group, CSU, China. is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.Creative Commons License    E-mail: biomed@csu.edu.cn