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Volumn 39, Issue 1, 2013, Pages 7-14

Comparison of chemical similarity measures using different numbers of query structures

Author keywords

chemoinformatics; sample size; similarity searching; test collection; virtual screening

Indexed keywords

CHEMOINFORMATICS; SAMPLE SIZES; SIMILARITY SEARCHING; TEST COLLECTION; VIRTUAL SCREENING;

EID: 84873121740     PISSN: 01655515     EISSN: 17416485     Source Type: Journal    
DOI: 10.1177/0165551512470042     Document Type: Article
Times cited : (14)

References (28)
  • 1
    • 84946536292 scopus 로고
    • The Cranfield tests on index language devices
    • Cleverdon CW. The Cranfield tests on index language devices. Aslib Proceedings. 1967 ; 19 (6). 173-94
    • (1967) Aslib Proceedings , vol.19 , Issue.6 , pp. 173-194
    • Cleverdon, C.W.1
  • 4
    • 77954220071 scopus 로고    scopus 로고
    • Test collection based evaluation of information retrieval systems
    • Sanderson M. Test collection based evaluation of information retrieval systems. Foundations and Trends in Information Retrieval. 2010 ; 4: 247-375
    • (2010) Foundations and Trends in Information Retrieval , vol.4 , pp. 247-375
    • Sanderson, M.1
  • 6
    • 46249099840 scopus 로고    scopus 로고
    • From chemical documentation to chemoinformatics: Fifty years of chemical information science
    • Willett P. From chemical documentation to chemoinformatics: fifty years of chemical information science. Journal of Information Science. 2008 ; 34: 477-499
    • (2008) Journal of Information Science , vol.34 , pp. 477-499
    • Willett, P.1
  • 9
    • 77649220192 scopus 로고    scopus 로고
    • Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation
    • Geppert H, Vogt M, Bajorath J. Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation. Journal of Chemical Information and Modeling. 2010 ; 50: 205-16
    • (2010) Journal of Chemical Information and Modeling , vol.50 , pp. 205-216
    • Geppert, H.1    Vogt, M.2    Bajorath, J.3
  • 11
  • 12
    • 0347182773 scopus 로고    scopus 로고
    • Textual and chemical information retrieval: Different applications but similar algorithms
    • WillettP. Textual and chemical information retrieval: Different applications but similar algorithms. Information Research2000; 5(2), http://InformationR.net/ir/5-2/infres52.html
    • (2000) Information Research , vol.5 , Issue.2
    • Willett, P.1
  • 13
    • 78649510215 scopus 로고    scopus 로고
    • Larsen B Schneider JW Åström F Schlemmer B, ed. Copenhagen: Royal School of Library and Information Science
    • Willett P The Janus faced scholar - A Festschrift in honour of Peter Ingwersen. Larsen B Schneider JW Åström F Schlemmer B, ed. Copenhagen: Royal School of Library and Information Science ; 2010: 107-115.
    • (2010) The Janus Faced Scholar - A Festschrift in Honour of Peter Ingwersen , pp. 107-115
    • Willett, P.1
  • 15
    • 77956276766 scopus 로고    scopus 로고
    • Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods
    • Duan J, Dixon SL, Lowrie JF, Sherman W. Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods. Journal of Molecular Graphics and Modelling. 2010 ; 29: 157-170
    • (2010) Journal of Molecular Graphics and Modelling , vol.29 , pp. 157-170
    • Duan, J.1    Dixon, S.L.2    Lowrie, J.F.3    Sherman, W.4
  • 16
    • 77952780755 scopus 로고    scopus 로고
    • Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments
    • Sastry M, Lowrie JF, Dixon SL, Sherman W. Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments. Journal of Chemical Information and Modeling. 2010 ; 50: 771-748
    • (2010) Journal of Chemical Information and Modeling , vol.50 , pp. 771-748
    • Sastry, M.1    Lowrie, J.F.2    Dixon, S.L.3    Sherman, W.4
  • 18
    • 0025664745 scopus 로고
    • On sample sizes for non-matched-pair IR experiments
    • Robertson SE. On sample sizes for non-matched-pair IR experiments. Information Processing and Management. 1990 ; 26 (6). 739-753
    • (1990) Information Processing and Management , vol.26 , Issue.6 , pp. 739-753
    • Robertson, S.E.1
  • 19
    • 53849148992 scopus 로고    scopus 로고
    • On test collections for adaptive information retrieval
    • Voorhees EM. On test collections for adaptive information retrieval. Information Processing and Management. 2008 ; 44: 1879-1885
    • (2008) Information Processing and Management , vol.44 , pp. 1879-1885
    • Voorhees, E.M.1
  • 25
    • 34247272948 scopus 로고    scopus 로고
    • Evaluating virtual screening methods: Good and bad metrics for the "early recognition" problem
    • DOI 10.1021/ci600426e
    • Truchon J-F, Bayly CI. Evaluating virtual screening methods: good and bad metrics for the 'early recognition' problem. Journal of Chemical Information and Modeling. 2007 ; 47: 488-508 (Pubitemid 46615951)
    • (2007) Journal of Chemical Information and Modeling , vol.47 , Issue.2 , pp. 488-508
    • Truchon, J.-F.1    Bayly, C.I.2
  • 27
    • 65349136650 scopus 로고    scopus 로고
    • Maximum Unbiased Validation (MUV) data sets for virtual screening based on PubChem bioactivity data
    • Rohrer SG, Baumann K. Maximum Unbiased Validation (MUV) data sets for virtual screening based on PubChem bioactivity data. Journal of Chemical Information and Modeling. 2009 ; 49: 169-184
    • (2009) Journal of Chemical Information and Modeling , vol.49 , pp. 169-184
    • Rohrer, S.G.1    Baumann, K.2
  • 28
    • 80051996206 scopus 로고    scopus 로고
    • Large-scale similarity search profiling of ChEMBL compound data sets
    • Heikamp K, Bajorath J. Large-scale similarity search profiling of ChEMBL compound data sets. Journal of Chemical Information and Modeling. 2011 ; 51: 1831-1839
    • (2011) Journal of Chemical Information and Modeling , vol.51 , pp. 1831-1839
    • Heikamp, K.1    Bajorath, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.