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. 2016 Sep 26;8:50. doi: 10.1186/s13321-016-0160-4

Table 3.

Examples correlating Jmol SMILES stereochemical notation with 3D structures, illustrating the similarity of new definitions to standard ones

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Biaryl images are SMARTS matches; all others are SMILES descriptions. Equivalent alternative descriptions for the acyclic compounds. Note how switching of positions of atoms in the SMILES strings can result in switching of the stereochemical descriptor