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Volumn 36, Issue 1, 1996, Pages 118-127

Chemical similarity using physiochemical property descriptors

Author keywords

Atom pairs; Derwent Standard Drug File; Property descriptors; Similarity searching; Topological torsions

Indexed keywords


EID: 0001577643     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci950274j     Document Type: Article
Times cited : (261)

References (10)
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    • (1985) J. Chem. Inf. Comput. Sci. , vol.25 , pp. 64-73
    • Carhart, R.E.1    Smith, D.H.2    Ventkataraghavan, R.3
  • 4
    • 0003076470 scopus 로고
    • Topological torsions: A new molecular descriptor for SAR applications, comparison with other descriptors
    • Nilakantan, R.; Bauman, N.; Dixon, J. S.; Venkataraghavan, R. "Topological torsions: a new molecular descriptor for SAR applications, comparison with other descriptors". J. Chem. Inf. Comput. Sci. 1987, 27, 82-85.
    • (1987) J. Chem. Inf. Comput. Sci. , vol.27 , pp. 82-85
    • Nilakantan, R.1    Bauman, N.2    Dixon, J.S.3    Venkataraghavan, R.4
  • 5
    • 0041750887 scopus 로고
    • New methods in computeraided drug design
    • Sheridan, R. P.; Venkataraghavan, R. "New methods in computeraided drug design". Acc. Chem. Res. 1987, 20, 322-329.
    • (1987) Acc. Chem. Res. , vol.20 , pp. 322-329
    • Sheridan, R.P.1    Venkataraghavan, R.2
  • 6
    • 85033858447 scopus 로고    scopus 로고
    • Molecular Access System; a product of Molecular Design Ltd.: San Leandro, CA
    • Molecular Access System; a product of Molecular Design Ltd.: San Leandro, CA.
  • 7
    • 0027662829 scopus 로고
    • PATTY: A programmable atom typer and language for automatic classification of atoms in molecular databases
    • Bush, B. L.; Sheridan, R. P. "PATTY: a programmable atom typer and language for automatic classification of atoms in molecular databases." J. Chem. Inf. Comput. Sci. 1993, 33, 756-762.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 756-762
    • Bush, B.L.1    Sheridan, R.P.2
  • 8
    • 49149147973 scopus 로고
    • Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges
    • Gasteiger, J.; Marsili, M. "Iterative partial equalization of orbital electronegativity - a rapid access to atomic charges". Tetrahedron 1980, 36, 3219-3228.
    • (1980) Tetrahedron , vol.36 , pp. 3219-3228
    • Gasteiger, J.1    Marsili, M.2
  • 9
    • 84986520724 scopus 로고
    • A computer automated structure evaluation (CASE) approach to calculation of partition coefficient
    • Klopman, G.; Wang, S. "A computer automated structure evaluation (CASE) approach to calculation of partition coefficient". J. Comput. Chem. 1991, 12, 1025-1032.
    • (1991) J. Comput. Chem. , vol.12 , pp. 1025-1032
    • Klopman, G.1    Wang, S.2
  • 10
    • 85033860354 scopus 로고
    • developed and distributed by Derwent Publications Ltd.: London, England
    • Standard Drug File Version 6.0; developed and distributed by Derwent Publications Ltd.: London, England, 1991.
    • (1991) Standard Drug File Version 6.0


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.