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MoleculeFingerprints
Guides
Molecule Fingerprints
Tech Notes
Substructure Screening
Symbols
AtomPairFingerprint
ExtendedConnectivityFingerprint
LayeredFingerprint
MACCSKeysFingerprint
MoleculeDistanceMatrix
MoleculeDistance
MoleculeNearest
PatternFingerprint
SubstructureKeyFingerprint
TopologicalFingerprint
$DefaultFingerprintFormat
$DefaultFingerprintType
WolframChemistry`MoleculeFingerprints`
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Basic Examples
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Find the distance between two molecules:
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Find the distance between two less similar molecules:
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