ABSTRACT

Line notation systems are used as a linear notation system to specify sub-structural patterns and structural patterns on chemical molecules (Wikipedia, “Smiles arbitrary target specification”, 2013 and Wikipedia, “Simplified molecular-input line-entry system”, 2013). Two systems are used by various chemical organizations, Simplified Molecular-Input Line-Entry System (SMILES) and Smiles Arbitrary Target Specification (SMARTS) (Wikipedia, “Smiles”, 2013 and Wikipedia, “Simplified”, 2013).