SMILES. 2. Algorithm for Generation of Unique SMILES Notation

Journal of Chemical Information and Computer Sciences

Volumn 29, Issue 2, 1989, Pages 97-101

  Weininger, David ^a   Weininger, Arthur ^a   Weininger, Joseph L ^a  

^a Daylight Chemical Information Systems ^*  (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICALS--STRUCTURE; CHEMISTRY--DATABASE SYSTEMS; INFORMATION SCIENCE--INFORMATION RETRIEVAL;

ALGORITHM CANGEN; ALGORITHM SMILES; CHEMICAL NOTATION LANGUAGE; SMILES NOTATION;

COMPUTER PROGRAMMING;

EID: 0024664539     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci00062a008     Document Type: Article

References (10)

1. Weininger, D. J. Chem. Inf. Comput. Sci. 1988, 28, 31.
2. Balaban, A. T. J. Chem. Inf. Comput. Sci. 1985, 25, 334.
3. Joachim, C.; Gasteiger, J. Top. Curr. Chem. 1987, 74, 93.
4. Wipke, W. T.; Dyott, T. M. J. Am. Chem. Soc. 1974, 96, 4834.
5. Morgan, H. L. J. Chem. Doc. 1965, 5, 107.
6. Bersohn, M. Comput. Chem. 1987, 2, 113.
7. Hagadone, T. R.; Howe, W. J. J. Chem. Inf. Comput. Sci. 1982, 22, 182.
8. Uchino, M. J. Chem. Inf. Comput. Sci. 1980, 20, 116.
9. Freed, E. E. Harvey Mudd College, personal communication.
10. Wenger, J. C.; Smith, D. H. J. Chem. Inf. Comput. Sci. 1982, 22, 29.