AMBITDatabase HELP
Descriptors calculation
(last revision - 14 June 2007)
Following descriptors can be calculated
- CarbonConnectivityOrderOneDescriptor
- RotatableBondsCountDescriptor
- CarbonConnectivityOrderZeroDescriptor
- Max Diameter
- PetitjeanNumberDescriptor
- LargestPiSystemDescriptor
- Planarity
- LargestChainDescriptor
- LongestAliphaticChainDescriptor
- RuleOfFiveDescriptor
- ValenceConnectivityOrderOneDescriptor
- HbondAcceptorCountDescriptor
- WeightDescriptor (Molecular weight)
- ValenceCarbonConnectivityOrderZeroDescriptor
- Molecule Length
- ValenceCarbonConnectivityOrderOneDescriptor
- Spherosity descriptor
- ApolDescriptor
- ConnectivityOrderOneDescriptor
- HbondDonorCountDescriptor
- VadjMaDescriptor
- AromaticAtomsCountDescriptor
- ZagrebIndexDescriptor
- XlogPDescriptor
- BpolDescriptor
- TPSADescriptor
- AromaticBondsCountDescriptor
- EccentricConnectivityIndexDescriptor
Developed (2006,2007) by Joanna Jaworska and Nina Jeliazkova for CEFIC-LRI