17 June 2004
Daylight CIS UK Ltd
SMILES, a unique name?
SMILES was developed to address the problem of
uniquely naming the vast majority of substances.
the internationally agreed element symbols to
name the elements.
SMILES encodes the relationship between atoms and the
configuration of chiral centres.
Canonical SMILES act as unique names ( identifiers ) for all
which can be accurately represented by a single
valence bond structure.
Canonical SMILES act as unique names for virtually all valence