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Volumn 2, Issue , 2005, Pages 913-918

Assignment kernels for chemical compounds

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COMPOUNDS; CLASSIFICATION (OF INFORMATION); COMPUTATION THEORY; DATA HANDLING; FUNCTIONS; GRAPH THEORY; INFORMATION RETRIEVAL;

EID: 33745964151     PISSN: None     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1109/IJCNN.2005.1555974     Document Type: Conference Paper
Times cited : (16)

References (16)
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    • Böhm, M.1    Klebe, G.2
  • 2
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    • D. Bonchev and D. H. Rouvray, editors. Chemical Graph Theory: Introduction and Fundamentals. Gordon and Breach Science Publishers, London, UK
    • D. Bonchev and D. H. Rouvray, editors. Chemical Graph Theory: Introduction and Fundamentals, volume 1 of Mathematical Chemistry Series. Gordon and Breach Science Publishers, London, UK, 1990.
    • (1990) Mathematical Chemistry Series , vol.1
  • 3
    • 0001180389 scopus 로고    scopus 로고
    • Ring perception using breadth-first search
    • J. Figueras. Ring Perception Using Breadth-First Search, J. Chem. Inf. Comput. Sci., 36:986-991, 1996.
    • (1996) J. Chem. Inf. Comput. Sci. , vol.36 , pp. 986-991
    • Figueras, J.1
  • 4
    • 0000125764 scopus 로고
    • A new model for calculating atomic charges in molecules
    • J. Gasteiger and M. Marsili. A New Model for Calculating Atomic Charges in Molecules. Tetrahedron Lett., 34:3181-3184, 1978.
    • (1978) Tetrahedron Lett. , vol.34 , pp. 3181-3184
    • Gasteiger, J.1    Marsili, M.2
  • 6
    • 0004019973 scopus 로고    scopus 로고
    • Convolution kernels on discrete structures
    • University of California Santa Cruz
    • D. Haussler. Convolution kernels on discrete structures. Technical Report UCSC-CRL-99-10, University of California Santa Cruz, 1999.
    • (1999) Technical Report , vol.UCSC-CRL-99-10
    • Haussler, D.1
  • 7
    • 0035113097 scopus 로고    scopus 로고
    • The predictive toxicology challenge 2000-2001
    • C. Helma, R. King, and S. Kramer. The predictive toxicology challenge 2000-2001. Bioinformatics, 17:107-108, 2001.
    • (2001) Bioinformatics , vol.17 , pp. 107-108
    • Helma, C.1    King, R.2    Kramer, S.3
  • 9
    • 0036793297 scopus 로고    scopus 로고
    • From narcosis to hyperspace: The history of QSAR
    • H. Kubinyi. From Narcosis to Hyperspace: The History of QSAR. Quant. Struct. Act. Relat., 21:348-356, 2002.
    • (2002) Quant. Struct. Act. Relat. , vol.21 , pp. 348-356
    • Kubinyi, H.1
  • 10
    • 0002719797 scopus 로고
    • The hungarian method for the assignment problem
    • H. Kuhn. The hungarian method for the assignment problem. Naval Res. Logist. Quart., 2:83-97, 1955.
    • (1955) Naval Res. Logist. Quart. , vol.2 , pp. 83-97
    • Kuhn, H.1
  • 11
    • 1942483107 scopus 로고    scopus 로고
    • Feature construction with version spaces for biochemical application
    • L. De Raedt and S. Kramer. Feature construction with version spaces for biochemical application. In Proc. 18th Int. Conf. on Machine Learning, pages 258-265, 2001.
    • (2001) Proc. 18th Int. Conf. on Machine Learning , pp. 258-265
    • De Raedt, L.1    Kramer, S.2
  • 14
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    • R. Todeschini and V. Consonni, editors. Wiley-VCH, Weinheim
    • R. Todeschini and V. Consonni, editors. Handbook of Molecular Descriptors. Wiley-VCH, Weinheim, 2000.
    • (2000) Handbook of Molecular Descriptors
  • 16
    • 2942717219 scopus 로고    scopus 로고
    • Feature selection for descriptor based classification models: Part II - Human Intestinal Absorption (HIA)
    • J. Wegner. H. Fröhlich, and A. Zell. Feature selection for Descriptor based Classification Models: Part II - Human Intestinal Absorption (HIA). J. Chem. Inf. Comput. Sci., 44:931-939, 2003.
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    • Wegner, J.1    Fröhlich, H.2    Zell, A.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.