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SMILES (SIMPLIFIED MOLECULAR IDENTIFICATION AND LINE ENTRY SYSTEM): A LINE NOTATION AND COMPUTERIZED INTERPRETER FOR CHEMICAL STRUCTURES
Citation:
Anderson, E., G. Veith, AND D. Weininger. SMILES (SIMPLIFIED MOLECULAR IDENTIFICATION AND LINE ENTRY SYSTEM): A LINE NOTATION AND COMPUTERIZED INTERPRETER FOR CHEMICAL STRUCTURES. U.S. Environmental Protection Agency, Washington, D.C., EPA/600/M-87/021 (NTIS PB88130034), 1987.
Description:
A line notation syntax and software interpreter for specifying chemical structures on small and large computers is presented. The Simplified Molecular Identification and Line Entry System, SMILES, contains the advantages of line notations for specifying structures but avoids the complexity of rules found in notations such as WLN. By encoding many chemical 'rules' into the interpreter, SMILES can be used to define molecular topology with five simple conventions.
URLs/Downloads:
SMILES (SIMPLIFIED MOLECULAR IDENTIFICATION AND LINE ENTRY SYSTEM): A LINE NOTATION AND COMPUTERIZED INTERPRETER FOR CHEMICAL STRUCTURESRecord Details:
Record Type:DOCUMENT( REPORT )
Product Published Date:08/31/1987
Record Last Revised:12/22/2005
Record ID:
33186