~sMilEs~
when people heard about smiles, they must refer to someone who are smiles to others. however, smiles that i want to share with you is something different from that.
do you know that Smiles is refer to simplified molecular input line entry specification.
The simplified molecular input line entry specification or SMILES is a specification for unambiguously describing the structure of chemical molecules using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
The original SMILES specification was developed by Arthur Weininger and David Weininger in the late 1980s. It has since been modified and extended by others, most notably by Daylight Chemical Information Systems Inc. In 2007, an open standard called "OpenSMILES" was developed by the Blue Obelisk open-source chemistry community. Other 'linear' notations include the Wiswesser Line Notation (WLN), ROSDAL and SLN (Tripos Inc).
~~smiles bond~~
| smiles bond | figure |
|---|---|
| single | - |
| double | = |
| Triple | # |
| aromatic | : |
~~smiles symbols~~
- string of alphanumeric character and certain punctuation symbols
- terminates at the first space encountered when read left to right
- the organic subset: B, C, N, O, P, S, F, Cl, Br, I
- specify attached hydrogens and charges in square brackets
- number of attached hydrogens is the symbol H followed by optional digit
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