|
fragment complexity descriptor
|
CHEMINF_000180 |
|
|
vertex adjacency matrix descriptor
|
CHEMINF_000181 |
|
|
Petitjean Topological Shape Index
|
CHEMINF_000182 |
|
|
Petitjean Shape Index
|
CHEMINF_000185 |
|
|
Petitjean Geometric Shape Index
|
CHEMINF_000183 |
|
|
Petitjean number
|
CHEMINF_000184 |
|
|
XLogP descriptor
|
CHEMINF_000186 |
|
|
MLogP descriptor
|
CHEMINF_000187 |
|
|
collection of 3D coordinates
|
CHEMINF_000177 |
|
|
collection of 3D atomic coordinates
|
CHEMINF_000178 |
|
|
molecular polarizability
|
CHEMINF_000179 |
|
|
minimal ratio of length to breadth descriptor
|
CHEMINF_000190 |
|
|
ratio of length to breadth descriptor
|
CHEMINF_000189 |
|
|
ionization energy descriptor
|
CHEMINF_000191 |
|
|
eccentric connectivity index descriptor
|
CHEMINF_000192 |
|
|
equilibrium constant
|
CHEMINF_000193 |
|
|
acid dissociation constant
|
CHEMINF_000194 |
|
|
pKa
|
CHEMINF_000195 |
|
|
cycle
|
CHEMINF_000196 |
|
|
substructure
|
CHEMINF_000197 |
|
