| Class | Description |
|---|---|
| Fingerprinter |
Fingerprinter class creates a hashed fingerprint from a set of paths
using SHA-2 as the kryptographical hash function.
|
| HELM2Object |
HELM2Object class to generate HELM2Notation object from HELM string
|
| PathGenerator |
PathGenerator class takes a moleculeGraph and finds all path from each
monomer (vertex) up to a maximal length (searchDepth).
|
| Similarity |
Similarity class calculates the Tanimoto value of two hashed bitstring fingerprints.
|
| Subset |
Subset class calculates the substructure relationship of two HELM notations.
|
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