Sentence examples for A smiles from inspiring English sources

A SMILES file usually contains the SMILES string and name for a compound.

A SMILES file was generated and then converted them into structures using JChem for excel (v14.9.100.809) [44].

A SMILES string is a linear representation of a molecule created from a traversal of the molecular graph.

A SMILES [25] represents a molecule as a sequence of characters corresponding to atoms as well as special characters denoting opening and closure of rings and branches.

A SMILES string for sertraline is shown at the top; this can be considered a 0D structure (only connectivity and stereochemical information).

A SMILES string has not only to be parsed according to syntactic rules, it usually also needs to be interpreted chemically.

sequence of tokens constituting a SMILES.

#S is a molecule with a SMILES descriptor.

Open Babel reads compounds from a SMILES file.

Like a SMILES notation, an InChI string is derived from a molecular structure representations.

Users can also insert a SMILES [65, 66] string for a molecule.