Question

Write Write a SQL query to retrieve the unique # of molecules from a table named 'reactants' in a database named 'reactions'. The molecules are represented as SMILES in the column named 'SMILES

Answer 1

The SMILES format is a linear text format which can describe the connectivity and chirality of a molecule. Canonical SMILES gives a single 'canonical' form for any particular molecule. See also. The “regular” SMILES format (smi, smiles) gives faster output, since no canonical numbering is performed.