.SMILES File Extension
- Category: Various data Files
What is an .SMILES file?
.SMILES file extension has been classified as Various data Files.
.SMILES is SMILES chemical modeller input
The smiles file extension is related to SMILES, a simple yet comprehensive chemical language in which molecules and reactions can be specified using ASCII characters representing atom and bond symbols. SMILES contains the same information as is found in an extended connection table but with several advantages.
A SMILES string is human understandable, very compact, and if canonicalized represents a unique string that can be used as a universal identifier for a specific chemical structure. In addition, a chemically correct and comprehensible depiction can be made from any SMILES string symbolizing either a molecule or reaction.
SMILES development was initiated by David Weininger in the late 1980s using the concept of a graph with nodes as atoms and edges as bonds to represent a molecule. Parentheses are used to indicate branching points and numeric labels designate ring connection points. The basic SMILES grammar also includes as well as isotopic information, configuration about double bonds, and chirality leading to what is known as isomeric SMILES.
.SMILES file format is deprecated and this file format is no longer supported.
Currently, .SMILES file type is not actively used and is obsolete. This usually happens with system files in older operating systems, files from long-discontinued software, or with previous versions of some file types (documents, projects, images, etc.) that were replaced in later versions of the original programs.