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Volumn 17, Issue 2, 1999, Pages 85-89

VisualiSAR: A Web-based application for clustering, structure browsing, and structure-activity relationship study

Author keywords

[No Author keywords available]

Indexed keywords

DATA ACQUISITION; DATA REDUCTION; INTERFACES (COMPUTER); WORLD WIDE WEB;

EID: 0033106944     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(99)00026-1     Document Type: Article
Times cited : (19)

References (19)
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    • Measuring molecular diversity: Evaluation of alternative subsets selected from reagent building block libraries for combinatorial chemistry
    • Blankley, C.J. measuring molecular diversity: Evaluation of alternative subsets selected from reagent building block libraries for combinatorial chemistry. Pharm. Pharmacol. Commun. 1998, 4, 139-146
    • (1998) Pharm. Pharmacol. Commun. , vol.4 , pp. 139-146
    • Blankley, C.J.1
  • 3
    • 85031582270 scopus 로고    scopus 로고
    • note
    • Software and documentation available from: Daylight Chemical Information, Inc., 18500 Von Karman #450, Irvine, CA. E-mail: info@daylight.com
  • 5
    • 0000446756 scopus 로고    scopus 로고
    • A method for visualizing recurrent topological substructures in sets of active molecules
    • Sheridan, R.P., Miller, M.D. A method for visualizing recurrent topological substructures in sets of active molecules. J. Chem. Inf. Comput. Sci. 1998, 38, 915-924
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 915-924
    • Sheridan, R.P.1    Miller, M.D.2
  • 6
    • 33751392117 scopus 로고
    • Clustering of chemical structures on the basis of two-dimensional similarity measures
    • Barnard, J.M., and Downs, G.M. Clustering of chemical structures on the basis of two-dimensional similarity measures. J. Chem. Inf. Comput. Sci. 1992, 32, 644-649
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 644-649
    • Barnard, J.M.1    Downs, G.M.2
  • 8
    • 84944178665 scopus 로고
    • Hierarchical grouping to optimize an objective function
    • Ward, J.H. Hierarchical grouping to optimize an objective function. J. Am. Stat. Assoc. 1963, 58, 236-244
    • (1963) J. Am. Stat. Assoc. , vol.58 , pp. 236-244
    • Ward, J.H.1
  • 9
    • 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., and 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
  • 10
    • 0041640133 scopus 로고
    • The use of similarity and clustering techniques for the prediction of molecular properties
    • (Devillers, J., and Karcher, W., eds.). ECSC, The Netherlands
    • Downs, G.M., and Willett, P. The use of similarity and clustering techniques for the prediction of molecular properties. In: Applied Multivariate Analysis in SAR and Environmental Studies (Devillers, J., and Karcher, W., eds.). ECSC, The Netherlands, 1991, pp. 247-279
    • (1991) Applied Multivariate Analysis in SAR and Environmental Studies , pp. 247-279
    • Downs, G.M.1    Willett, P.2
  • 12
    • 0029831680 scopus 로고    scopus 로고
    • An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally-related subfamilies
    • Kelley, L.A., Gardner, S.P., and Sutcliffe, M.J. An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally-related subfamilies. Protein Eng. 1996, 9, 1063-1065
    • (1996) Protein Eng. , vol.9 , pp. 1063-1065
    • Kelley, L.A.1    Gardner, S.P.2    Sutcliffe, M.J.3
  • 13
    • 85031585760 scopus 로고    scopus 로고
    • note
    • Software and documentation available from: Barnard Chemical Information, Ltd., 46 Uppergate Road, Sheffield S6 6BX, UK. E-mail: barnard@bcil.demon.co.uk
  • 16
    • 85031587635 scopus 로고    scopus 로고
    • Information about SMILES is available on Daylight's Web server
    • Information about SMILES is available on Daylight's Web server, www.daylight.com
  • 17
    • 85031587868 scopus 로고    scopus 로고
    • note
    • Software and documentation available from: Molecular Design, Ltd., 14600 Catalina St., San Leandro, California 94577
  • 18
    • 85031586056 scopus 로고    scopus 로고
    • The data set may be downloaded
    • The data set may be downloaded from http://epnws1. ncifcrf.gov:2345/dis3d/aids-screen/aidspub.html
  • 19
    • 0000462999 scopus 로고    scopus 로고
    • A comparison of 2D fingerprint types and hierarchy selection methods for structural grouping using Ward's Clustering
    • in press
    • Wild, D.J. and Blankley, C.J. A comparison of 2D fingerprint types and hierarchy selection methods for structural grouping using Ward's Clustering. J. Chem. Inf. Comput. Sci. 2000, 40, (in press)
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40
    • Wild, D.J.1    Blankley, C.J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.