SMILES ambiguity

It is to be noted that the QSPR/QSAR analysis of nanosubstances based on elucidation of molecular structure by the molecular graph is ambiguous due to a large number of atoms involved in these molecular systems. Under such circumstances the chiral vector can be used as elucidation of structure of the carbon nanotubes (Toropov et al., 2007c). The SMILES-like representation information for nanomaterials is also able to provide reasonable good predictive models (Toropov and Leszczynski, 2006a). 

She turned and beamed at Danese. Danese was quick he saw the ambiguity right away, but he turned his snarl at me into a smile at his wife. 

Before considering how SMIRKS can be used to carry out transformations with multiple reactants, first consider simpler unimolecular transformations. These are discussed separately because of the important use of unimolecular transformations to enforce the consistent use of SMILES throughout the database. This improves the integrity of the data in a chemical sense, rather than a relational database sense as discussed previously. The root of the issue is this There are multiple ways to represent the same molecular structure due to the limitations of valence bond theory. In valence bond theory, upon which SMILES is based, atoms have formal charges, most often zero. The bonds between atoms are shared pairs of electrons and may consist of multiple shared pairs giving rise to double, triple, or possibly even higher-order bonds between atoms. This simple theory, while quite powerful and applicable to a majority of chemical structures, leads to certain ambiguities. 

Her own self portrait is extremely provocative and consists of only her head and her feet. These are, she says, the parts of her body which people always stare at, trying to assess what it is about this woman that is different, what anatomically is not computing to their sense of the norm (Yood, 2004, pp. 27-28). The insaiption of the Hebrew word Emmet, on the head of her face, with its determined expression and a just discernible smile, plays with truth and death and produces an ambiguity which catches the viewer. 

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