rdkit.Chem.EState package — The RDKit 2025.09.6 documentation

# rdkit.Chem.EState package

## Submodules

- rdkit.Chem.EState.AtomTypes module
  - `BuildPatts()`
  - `TypeAtoms()`
- rdkit.Chem.EState.EState module
  - `EStateIndices()`
  - `GetPrincipleQuantumNumber()`
  - `MaxAbsEStateIndex()`
  - `MaxEStateIndex()`
  - `MinAbsEStateIndex()`
  - `MinEStateIndex()`
- rdkit.Chem.EState.EState_VSA module
  - `EState_VSA1()`
  - `EState_VSA10()`
  - `EState_VSA11()`
  - `EState_VSA2()`
  - `EState_VSA3()`
  - `EState_VSA4()`
  - `EState_VSA5()`
  - `EState_VSA6()`
  - `EState_VSA7()`
  - `EState_VSA8()`
  - `EState_VSA9()`
  - `EState_VSA_()`
  - `VSA_EState1()`
  - `VSA_EState10()`
  - `VSA_EState2()`
  - `VSA_EState3()`
  - `VSA_EState4()`
  - `VSA_EState5()`
  - `VSA_EState6()`
  - `VSA_EState7()`
  - `VSA_EState8()`
  - `VSA_EState9()`
  - `VSA_EState_()`
- rdkit.Chem.EState.Fingerprinter module
  - `FingerprintMol()`

## Module contents

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)