ChemDes

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

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