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Volumn 43, Issue 2, 2003, Pages 475-484

A geodesic framework for analyzing molecular similarities

Author keywords

[No Author keywords available]

Indexed keywords

MULTIDIMENSIONAL SCALING;

EID: 0037365305     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025631m     Document Type: Conference Paper
Times cited : (36)

References (20)
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    • Hotelling, H.1
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    • Topology representing networks
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    • (1994) Neural Networks , vol.7 , pp. 507-522
    • Martinetz, T.1    Schulten, K.2
  • 9
    • 84887006810 scopus 로고
    • A nonlinear mapping for data structure analysis
    • Sammon, J. W. A nonlinear mapping for data structure analysis. IEEE Trans. Computers 1969, 18, 401-409.
    • (1969) IEEE Trans. Computers , vol.18 , pp. 401-409
    • Sammon, J.W.1
  • 10
    • 0034704229 scopus 로고    scopus 로고
    • A global geometric framework for nonlinear dimensionality reduction
    • Tenenbaum, J., B.; de Suva, V.; Langford, J., C. A global geometric framework for nonlinear dimensionality reduction. Science 2000, 290, 2319-2323.
    • (2000) Science , vol.290 , pp. 2319-2323
    • Tenenbaum, J.B.1    De Suva, V.2    Langford, J.C.3
  • 11
    • 0034704222 scopus 로고    scopus 로고
    • Nonlinear dimensionality reduction by localy linear embedding
    • Roweis, S., T.; Saul, L., K. Nonlinear dimensionality reduction by localy linear embedding. Science 2000, 290, 2323-2326.
    • (2000) Science , vol.290 , pp. 2323-2326
    • Roweis, S.T.1    Saul, L.K.2
  • 12
    • 0037059052 scopus 로고    scopus 로고
    • A self-organizing principle for learning nonlinear manifolds
    • Agrafiotis, D. K.; Xu, H. A self-organizing principle for learning nonlinear manifolds. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 15869-15872.
    • (2002) Proc. Natl. Acad. Sci. U.S.A. , vol.99 , pp. 15869-15872
    • Agrafiotis, D.K.1    Xu, H.2
  • 16
    • 0000805679 scopus 로고
    • The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling
    • VCH Publishers: New York
    • Hall, L. H.; Kier, L. B. The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling. Reviews in Computational Chemistry; VCH Publishers: New York, 1991; pp 367-422.
    • (1991) Reviews in Computational Chemistry , pp. 367-422
    • Hall, L.H.1    Kier, L.B.2
  • 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. 1996, 39, 3049-3059.
    • (1996) 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


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.