메뉴 건너뛰기




Volumn 44, Issue 3, 2004, Pages 1031-1041

Artificial neural networks and linear discriminant analysis: A valuable combination in the selection of new antibacterial compounds

Author keywords

[No Author keywords available]

Indexed keywords

AGENTS; ASSAYS; DATABASE SYSTEMS; DRUG PRODUCTS; ESCHERICHIA COLI; FREQUENCIES; HYDROGEN BONDS; INFORMATION ANALYSIS; MOLECULAR STRUCTURE; TOPOLOGY; TOXICITY;

EID: 2942724626     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci030340e     Document Type: Article
Times cited : (65)

References (30)
  • 3
    • 0028391743 scopus 로고
    • Application of graph theoretical parameters in quantifying molecular similarity and structure - Activity studies
    • Basak, S. C.; Bertelsen, S.; Granwald, G. Application of Graph Theoretical Parameters in Quantifying Molecular Similarity and Structure - Activity Studies. J. Chem. Inf. Comput. Sci. 1994, 34, 270-276.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 270-276
    • Basak, S.C.1    Bertelsen, S.2    Granwald, G.3
  • 4
    • 0002484325 scopus 로고
    • Topological indices for structure - Activity correlations
    • Balaban, A. T.; Motoc, I.; Bonchev, D.; Mekenyan, O. Topological Indices for Structure - Activity Correlations. Top. Curr. Chem. 1983, 114, 21-55.
    • (1983) Top. Curr. Chem. , vol.114 , pp. 21-55
    • Balaban, A.T.1    Motoc, I.2    Bonchev, D.3    Mekenyan, O.4
  • 6
    • 33845378719 scopus 로고
    • Applications of graph theory in chemistry
    • Balaban, A. T. Applications of Graph Theory in Chemistry. J. Chem. Inf. Comput. Sci. 1985, 25, 334-343.
    • (1985) J. Chem. Inf. Comput. Sci. , vol.25 , pp. 334-343
    • Balaban, A.T.1
  • 8
    • 0000059848 scopus 로고
    • Should we have designs on topological indexes?
    • Rouvray, D. H. Should We Have Designs on Topological Indexes? Stud. Phys. Theor. Chem. 1983, 28, 159-177.
    • (1983) Stud. Phys. Theor. Chem. , vol.28 , pp. 159-177
    • Rouvray, D.H.1
  • 9
    • 1542592573 scopus 로고
    • Chemical graphs. XXXTV. Five new topological indices for the branching of tree-like graphs
    • Balaban, A. Chemical Graphs. XXXTV. Five New Topological Indices for the Branching of Tree-like Graphs. Theor. Chim. Acta 1979, 53, 355-375.
    • (1979) Theor. Chim. Acta , vol.53 , pp. 355-375
    • Balaban, A.1
  • 14
    • 0033628605 scopus 로고    scopus 로고
    • Use of artificial neural networks in QSAR study of anti-HIV activity for a large group of HEPT derivatives
    • Jalali-Heravi, M.; Parastar, F. Use of artificial neural networks in QSAR study of anti-HIV activity for a large group of HEPT derivatives. J. Chem. Inf. Comput. Sci. 2000, 40, 147-154.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 147-154
    • Jalali-Heravi, M.1    Parastar, F.2
  • 15
    • 0032735695 scopus 로고    scopus 로고
    • Neural networks in drug discovery: Have they lived up to their promise?
    • Manallack, D. T.; Livingstone, D. J. Neural networks in drug discovery: have they lived up to their promise? Eur. J. Med. Chem. 1999, 34, 195-208.
    • (1999) Eur. J. Med. Chem. , vol.34 , pp. 195-208
    • Manallack, D.T.1    Livingstone, D.J.2
  • 16
    • 0035913053 scopus 로고    scopus 로고
    • Volume learning algorithm artificial neural networks for 3D QSAR studies
    • Tetko, I. V.; Kovalishyn, V. V.; Livingstone, D. J. Volume Learning Algorithm Artificial Neural Networks for 3D QSAR Studies. J. Med. Chem. 2001, 44, 2411-2420.
    • (2001) J. Med. Chem. , vol.44 , pp. 2411-2420
    • Tetko, I.V.1    Kovalishyn, V.V.2    Livingstone, D.J.3
  • 17
    • 0035221306 scopus 로고    scopus 로고
    • Analysis of the internal representations developed by neural networks for structures applied to quantitative structure - Activity relationship studies of benzodiazepines
    • Micheli, A.; Sperduti, A.; Starita, A. Analysis of the Internal Representations Developed by Neural Networks for Structures Applied to Quantitative Structure - Activity Relationship Studies of Benzodiazepines. J. Chem. Inf. Comput. Sci. 2001, 41, 202-218.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 202-218
    • Micheli, A.1    Sperduti, A.2    Starita, A.3
  • 19
    • 0035324930 scopus 로고    scopus 로고
    • Comparison of a neural net-based QSAR algorithm (PCANN) with hologram and multiple linear regression-based calcium channel antagonists
    • Viswanadhan, V. N.; Mueller, G. A.; Basak, S. C.; Weinstein, J. N. Comparison of a Neural Net-Based QSAR Algorithm (PCANN) with Hologram and Multiple Linear Regression-Based Calcium Channel Antagonists. J. Chem. Inf. Comput. Sci. 2001, 41, 505-511.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 505-511
    • Viswanadhan, V.N.1    Mueller, G.A.2    Basak, S.C.3    Weinstein, J.N.4
  • 24
    • 0004271627 scopus 로고
    • University of California, Los Angeles
    • BMDP Statistical Program, University of California, Los Angeles, 1990.
    • (1990) BMDP Statistical Program
  • 29
    • 2942749662 scopus 로고    scopus 로고
    • Available Chemicals Directory is available from MDL Information Systems Inc., San Leandro, CA
    • Available Chemicals Directory is available from MDL Information Systems Inc., San Leandro, CA.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.