메뉴 건너뛰기




Volumn 43, Issue 1, 2003, Pages 317-323

DISE: Directed sphere exclusion

Author keywords

[No Author keywords available]

Indexed keywords

DIRECTED SPHERE EXCLUSION; SPHERE EXCLUSION ALGORITHM;

EID: 0037208313     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025554v     Document Type: Article
Times cited : (52)

References (22)
  • 1
    • 0013059125 scopus 로고    scopus 로고
    • Dissimilarity based compound selection for library design
    • Ghose, A. K.; Viswanadham, V. N.; Eds.; Marcel Dekker Inc.: New York
    • Gillet, V. J.; Willett, P. Dissimilarity based compound selection for library design. In: Combinatorial library design and evaluation. Ghose, A. K.; Viswanadhan, V. N.; Eds.; Marcel Dekker Inc.: New York: 2001; pp. 279-398.
    • (2001) Combinatorial Library Design and Evaluation , pp. 279-398
    • Gillet, V.J.1    Willett, P.2
  • 2
    • 0032934948 scopus 로고    scopus 로고
    • Addressing the problem of molecular diversity
    • Eichler, U.; Ertl, P.; Gobbi, A.; Poppinger, D. Addressing the problem of molecular diversity. Drugs Future 1999, 24, 177-190.
    • (1999) Drugs Future , vol.24 , pp. 177-190
    • Eichler, U.1    Ertl, P.2    Gobbi, A.3    Poppinger, D.4
  • 3
    • 0013061102 scopus 로고    scopus 로고
    • A similarity investigation
    • Presentation at the MUG 02; Santa Fe
    • Martin Y.; A similarity investigation. Presentation at the MUG 02, 2002, Santa Fe, http://www.daylight.com/meetings/mug02/Martin/index.html.
    • (2002)
    • Martin, Y.1
  • 5
    • 84955113691 scopus 로고
    • Clustering of chemical structure databases for compound selection
    • (Advanced computer assisted techniques in drug discovery)
    • Downs, G. M.; Willett, P. Clustering of chemical structure databases for compound selection. Methods Principles Med. Chem. 1995, 3 (Advanced computer assisted techniques in drug discovery). 111-130.
    • (1995) Methods Principles Med. Chem. , vol.3 , pp. 111-130
    • Downs, G.M.1    Willett, P.2
  • 6
    • 0033386157 scopus 로고    scopus 로고
    • Binning schemes for partition-based compound selection
    • Bayley, M. J.; Willett, P. Binning schemes for partition-based compound selection. J. Mol. Graph Modeling 1999, 17, 10-18.
    • (1999) J. Mol. Graph Modeling , vol.17 , pp. 10-18
    • Bayley, M.J.1    Willett, P.2
  • 7
    • 15744363581 scopus 로고    scopus 로고
    • Metric validation and the receptor relevant subspace concept
    • Pearlman R. S.; Smith K. M. Metric validation and the receptor relevant subspace concept. J. Chem. Inf. Comput. Sci. 1999, 39, 28-35.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 28-35
    • Pearlman, R.S.1    Smith, K.M.2
  • 8
    • 0003230848 scopus 로고    scopus 로고
    • Novel software tools for addressing chemical diversity
    • Pearlman, R. S. Novel Software tools for addressing chemical diversity. Network Science, 1996; http://www.netsci.org/Science/Combichem/feature08.html.
    • (1996) Network Science
    • Pearlman, R.S.1
  • 9
    • 0024715264 scopus 로고
    • Molecular identification number for substructure searches
    • Burden, F. R. Molecular identification number for substructure searches. J. Chem. Inf. Comput. Sci. 1989, 29, 225-227.
    • (1989) J. Chem. Inf. Comput. Sci. , vol.29 , pp. 225-227
    • Burden, F.R.1
  • 10
    • 0032699296 scopus 로고    scopus 로고
    • Dissimilarity-based algorithms for selecting structural diverse sets of compounds
    • Willett, P. Dissimilarity-based algorithms for selecting structural diverse sets of compounds. J. Comput. Biol. 1999, 6, 447-457.
    • (1999) J. Comput. Biol. , vol.6 , pp. 447-457
    • Willett, P.1
  • 12
    • 0028953765 scopus 로고
    • Measuring diversity: Experimental design of combinatorial libraries for drug discovery
    • Martin, E. J.; Blaney, J. M. Siani, M. A.; Spellmeyer, D. C.; Wong, A. K.; Moos, W. H. Measuring diversity: Experimental design of combinatorial libraries for drug discovery. J. Med. Chem. 1995, 38, 1431-1436.
    • (1995) J. Med. Chem. , vol.38 , pp. 1431-1436
    • Martin, E.J.1    Blaney, J.M.2    Siani, M.A.3    Spellmeyer, D.C.4    Wong, A.K.5    Moos, W.H.6
  • 13
    • 0029841885 scopus 로고    scopus 로고
    • Parameter based methods for compound selection from chemical databases
    • Hudson, B. D.; Hyde, R. M.; Rahr, E.; Wood, J. Parameter based methods for compound selection from chemical databases. Quant. Struct.-Act. Relat 1996, 15, 285-289.
    • (1996) Quant. Struct.-Act. Relat , vol.15 , pp. 285-289
    • Hudson, B.D.1    Hyde, R.M.2    Rahr, E.3    Wood, J.4
  • 14
    • 0031370668 scopus 로고    scopus 로고
    • Comparison of algorithms for dissimilarity-based compound selection
    • Snarey, M.; Terrett, N. K.; Willett, P.; Wilton, D. J. Comparison of algorithms for dissimilarity-based compound selection. J. Mol. Graph Modeling 1997, 15, 373-385.
    • (1997) J. Mol. Graph Modeling , vol.15 , pp. 373-385
    • Snarey, M.1    Terrett, N.K.2    Willett, P.3    Wilton, D.J.4
  • 15
  • 16
    • 0000684663 scopus 로고    scopus 로고
    • OptiSim: An extended dissimilarity selection method for finding diverse representative subsets
    • Clark, R. D. OptiSim: An extended dissimilarity selection method for finding diverse representative subsets. J. Chem. Inf. Comput. Sci. 1997, 37, 1181-1188.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 1181-1188
    • Clark, R.D.1
  • 19
    • 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. Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 572-584
    • Brown, R.D.1    Martin, Y.C.2
  • 20
    • 0029783934 scopus 로고    scopus 로고
    • Neighborhood behavior: A useful concept for validation of "molecular diversity" descriptors
    • Patterson, D. E.; Cramer, R. D.; Ferguson A. M.; Clark, R. D.; Weinberger L. E. Neighborhood behavior: A useful concept for validation of "molecular diversity" descriptors. J. Med. Chem. 1998, 39, 3049-3059.
    • (1998) J. Med. Chem. , vol.39 , pp. 3049-3059
    • Patterson, D.E.1    Cramer, R.D.2    Ferguson, A.M.3    Clark, R.D.4    Weinberger, L.E.5
  • 21
    • 0013110809 scopus 로고    scopus 로고
    • ASINEX Ltd., 6 Schukinskaya St., Moscow 123182, Russia
    • ASINEX Ltd., 6 Schukinskaya St., Moscow 123182, Russia. http://www.asinex.com.
  • 22
    • 0013110810 scopus 로고    scopus 로고
    • MDL Drug Data Report, MDL Information Systems Inc.
    • MDL Drug Data Report, MDL Information Systems Inc. http://www.mdli.com/pdfs/MDDRds.pdf.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.