Molecular fingerprints Feature vectors

Molecules are typically represented by a vector of real-valued properties (molecular weight, logP, etc.) or binary values (e.g., 0 for absence, 1 for presence of a substructure feature) in a bit-string or binary fingerprint. The term fingerprint or key or signature thus refers to an encoding of features/characteristics a molecule exhibits (e.g., substructures present, all possible combinations of 2-4 pharmaco-... 

---