|
algorithm to calculate a chemical descriptor
|
CHEMINF_000144 |
|
|
software module to calculate a molecular descriptor
|
CHEMINF_000451 |
|
|
software module to calculate a chemical descriptor
|
CHEMINF_000103 |
|
|
distance to atom
|
CHEMINF_001540 |
|
|
Moreau-Broto Autocorrelation (charge) descriptors
|
CHEMINF_001530 |
|
|
odor detection threshold descriptor
|
CHEMINF_000441 |
|
|
Moreau-Broto autocorrelation (mass) descriptors
|
CHEMINF_001531 |
|
|
pH descriptor
|
CHEMINF_000442 |
|
|
Moreau-Broto autocorrelation (polarizability) descriptors
|
CHEMINF_001532 |
|
|
evaporation rate descriptor
|
CHEMINF_000443 |
|
|
tautomer count
|
CHEMINF_000202 |
|
|
autoignition temperature descriptor
|
CHEMINF_000444 |
|
|
carbon types
|
CHEMINF_001533 |
|
|
stereocenter count
|
CHEMINF_000203 |
|
|
carbon connectivity index (order 0)
|
CHEMINF_001534 |
|
|
soil half-life descriptor
|
CHEMINF_000445 |
|
|
CAS registry number
|
CHEMINF_000446 |
|
|
valence connectivity index (order 0)
|
CHEMINF_001535 |
|
|
atom stereocenter count
|
CHEMINF_000205 |
|
|
EC number
|
CHEMINF_000447 |
|
