Chem.EState

Package Chem :: Package EState |
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# Package EState

source code

    A module for Kier and Hall's EState Descriptors

    Unless otherwise noted, all definitions here can be found in:

      L.B. Kier and L.H. Hall _Molecular Structure Description:
      The Electrotopological State"_  Academic Press (1999)

Submodules | [hide private]
Chem.EState.AtomTypes: contains SMARTS definitions and calculators for EState atom types... Chem.EState.EState: Basic EState definitions Chem.EState.EState_VSA: Hybrid EState-VSA descriptors (like the MOE VSA descriptors) Chem.EState.Fingerprinter: EState fingerprinting