메뉴 건너뛰기




Volumn 1, Issue 3, 1996, Pages 145-151

Definitions of "dissimilarity" for dissimilarity-based compound selection

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001526833     PISSN: 10870571     EISSN: None     Source Type: Journal    
DOI: 10.1177/108705719600100308     Document Type: Article
Times cited : (26)

References (18)
  • 1
    • 0029382598 scopus 로고
    • Characterising the geometric diversity of functional groups in chemical databases
    • Boyd, S.M., Beverley, M., Norskov, L., Hubbard, R.E. (1995). Characterising the geometric diversity of functional groups in chemical databases. J. Comput. Aided Mol. Design 9:417.
    • (1995) J. Comput. Aided Mol. Design , vol.9 , pp. 417
    • Boyd, S.M.1    Beverley, M.2    Norskov, L.3    Hubbard, R.E.4
  • 2
    • 84955113691 scopus 로고
    • Clustering of chemical-structure databases for compound selection
    • H. van de Waterbeemd (ed.), VCH, New York
    • Downs, G.M., Willett, P. (1994). Clustering of chemical-structure databases for compound selection. In Advanced Computer-Assisted Techniques in Drug Discovery. H. van de Waterbeemd (ed.), pp. 111-130. VCH, New York.
    • (1994) Advanced Computer-Assisted Techniques in Drug Discovery , pp. 111-130
    • Downs, G.M.1    Willett, P.2
  • 5
    • 0029271228 scopus 로고
    • Using a genetic algorithm to suggest combinatorial libraries
    • Sheridan, K.P., Kearsley, S.K. (1995). Using a genetic algorithm to suggest combinatorial libraries. J. Chem. Inform. Comput. Sci. 35:310.
    • (1995) J. Chem. Inform. Comput. Sci. , vol.35 , pp. 310
    • Sheridan, K.P.1    Kearsley, S.K.2
  • 6
    • 0029233859 scopus 로고
    • Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals
    • Taylor, R. (1995). Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals. J. Chem. Inform. Comput. Sci. 35:59.
    • (1995) J. Chem. Inform. Comput. Sci. , vol.35 , pp. 59
    • Taylor, R.1
  • 7
    • 0010287032 scopus 로고
    • Application of two-dimensional chemical similarity measures to database analysis and querying
    • M.A. Johnson and G.M. Maggiora (eds.), John Wiley, New York
    • Bawden, D. (1990). Application of two-dimensional chemical similarity measures to database analysis and querying. In Concepts and Applications of Molecular Similarity. M.A. Johnson and G.M. Maggiora (eds.), pp. 65-76. John Wiley, New York.
    • (1990) Concepts and Applications of Molecular Similarity , pp. 65-76
    • Bawden, D.1
  • 8
    • 0010228208 scopus 로고
    • Molecular dissimilarity in chemical information systems
    • W.A. Warr (ed.), Springer, Verlag, Heidelberg
    • Bawden, D. (1993). Molecular dissimilarity in chemical information systems. In Chemical Structures, vol. 2. W.A. Warr (ed.), pp. 383-388, Springer, Verlag, Heidelberg.
    • (1993) Chemical Structures , vol.2 , pp. 383-388
    • Bawden, D.1
  • 9
    • 0029610459 scopus 로고    scopus 로고
    • A fast algorithm for selecting sets of dissimilar structures from large chemical databases
    • Holliday, J.D., Ranade, S.S., Willett, P. (1996). A fast algorithm for selecting sets of dissimilar structures from large chemical databases. Quant. Structure-Activity Rel. 14:501.
    • (1996) Quant. Structure-Activity Rel. , vol.14 , pp. 501
    • Holliday, J.D.1    Ranade, S.S.2    Willett, P.3
  • 10
    • 0002330613 scopus 로고
    • Molecular similarity-based methods for selecting compounds for screening
    • D.H. Rouvray (ed.), Nova Science Publishers, New York
    • Lajiness, M. (1990). Molecular similarity-based methods for selecting compounds for screening. In Computational Chemical Graph Theory. D.H. Rouvray (ed.), pp. 299-316. Nova Science Publishers, New York.
    • (1990) Computational Chemical Graph Theory , pp. 299-316
    • Lajiness, M.1
  • 11
    • 0001818323 scopus 로고
    • An evaluation of the performance of dissimilarity selection
    • C. Silipo, A. Vittoria (eds.), Elsevier Science Publishers, Amsterdam
    • Lajiness, M. (1991). An evaluation of the performance of dissimilarity selection. In QSAR: Rational Approaches to the Design of Bioactive Compounds. C. Silipo, A. Vittoria (eds.), pp. 201-204. Elsevier Science Publishers, Amsterdam.
    • (1991) QSAR: Rational Approaches to the Design of Bioactive Compounds , pp. 201-204
    • Lajiness, M.1
  • 12
    • 0030534377 scopus 로고
    • Similarity searching in databases of chemical structures
    • Downs, G.M., Willett, P. (1995). Similarity searching in databases of chemical structures. Rev. Comput. Chemistry 7:1.
    • (1995) Rev. Comput. Chemistry , vol.7 , pp. 1
    • Downs, G.M.1    Willett, P.2
  • 16
    • 0003126317 scopus 로고
    • A general theory of classificatory sorting strategies. I. Hierarchical systems
    • Lance, G.N., Williams, W.T.A. (1967). A general theory of classificatory sorting strategies. I. Hierarchical systems. Comput. J. 9:373.
    • (1967) Comput. J. , vol.9 , pp. 373
    • Lance, G.N.1    Williams, W.T.A.2
  • 17
    • 0019633125 scopus 로고
    • Comparison of hierarchical cluster analysis techniques for the automatic classification of chemical structures
    • Adamson, G.W., Bawden, D. (1981). Comparison of hierarchical cluster analysis techniques for the automatic classification of chemical structures. J. Chem. Info. Comput. Sci. 21:204.
    • (1981) J. Chem. Info. Comput. Sci. , vol.21 , pp. 204
    • Adamson, G.W.1    Bawden, D.2
  • 18
    • 0342645323 scopus 로고    scopus 로고
    • Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection
    • Brown, R.D., Martin, Y.C. (1996). Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection. J. Chem. Inform. Comput. Sci. 36:572.
    • (1996) J. Chem. Inform. Comput. Sci. , vol.36 , pp. 572
    • Brown, R.D.1    Martin, Y.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.