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Volumn 36, Issue 4, 1996, Pages 694-705

Neural nets for the simulation of molecular recognition within MS-windows environment

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001611960     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9501251     Document Type: Article
Times cited : (12)

References (12)
  • 1
    • 0000742117 scopus 로고
    • Indexes of Molecular Shape from Chemical Graphs
    • Kier, L. B. Indexes of Molecular Shape from Chemical Graphs. Med, Res. Rev. 1987, 7, 417-440.
    • (1987) Med, Res. Rev. , vol.7 , pp. 417-440
    • Kier, L.B.1
  • 2
    • 33847086085 scopus 로고
    • A QSAR Investigation of Dihydrofolate Reductase Inhibition by Baker Triazines Based upon Molecular Shape Analysis
    • Hopfinger, A. J. A QSAR Investigation of Dihydrofolate Reductase Inhibition by Baker Triazines Based upon Molecular Shape Analysis. J. Am. Chem. Soc. 1980, 102, 7196-7206.
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 7196-7206
    • Hopfinger, A.J.1
  • 3
    • 0020957990 scopus 로고
    • Theory and Application of Molecular Potential Energy Fields in Molecular Shape Analysis: A Quantitative Structure-Activity Relationship Study of 2,4-diamino-5-benzylpyrimidines as Dihyrofolate Reductase Inhibitors
    • Hopfinger, A. J. Theory and Application of Molecular Potential Energy Fields in Molecular Shape Analysis: A Quantitative Structure-Activity Relationship Study of 2,4-diamino-5-benzylpyrimidines as Dihyrofolate Reductase Inhibitors. J. Med. Chem. 1983, 26, 990-996.
    • (1983) J. Med. Chem. , vol.26 , pp. 990-996
    • Hopfinger, A.J.1
  • 4
    • 0023751431 scopus 로고
    • Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins
    • Cramer III, R. D.; Patterson, D. E.; Bunce, J. D. Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer III, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 5
    • 0027518573 scopus 로고
    • Structure-Activity Relationships from Molecular Similarity Matrices
    • Good, A. C.; So, S. S.; Richards, W. G. Structure-Activity Relationships from Molecular Similarity Matrices. J. Med. Chem. 1993, 36, 433-438.
    • (1993) J. Med. Chem. , vol.36 , pp. 433-438
    • Good, A.C.1    So, S.S.2    Richards, W.G.3
  • 7
    • 0000583538 scopus 로고
    • Representation of Molecular Electrostatic Potential by Topological Feature Maps
    • and references cited
    • Gasteiger, J.; Li, X.; Rudolph, Ch.; Sadowski, J.; Zupan, J. Representation of Molecular Electrostatic Potential by Topological Feature Maps. J. Am. Chem. Soc. 1994, 116, 4608-4620, and references cited.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 4608-4620
    • Gasteiger, J.1    Li, X.2    Rudolph, Ch.3    Sadowski, J.4    Zupan, J.5
  • 9
    • 0345834039 scopus 로고
    • The Comparison of Molecular Surfaces by an Assembly of Self-Organizing Neural Network
    • Technical University of Wroclaw, National Institute of Standards and Technology: Gaithersburg, MD, U.S.A., Wroclaw, full publication under preparation
    • Polański, J.; Gasteiger, J. The Comparison of Molecular Surfaces by an Assembly of Self-Organizing Neural Network. Computers in Chemistry '94"; Technical University of Wroclaw, National Institute of Standards and Technology: Gaithersburg, MD, U.S.A., Wroclaw, 1994; p 88, full publication under preparation.
    • (1994) Computers in Chemistry '94 , pp. 88
    • Polański, J.1    Gasteiger, J.2
  • 10
    • 0027363642 scopus 로고
    • QSAR from Similarity Matrices. Technique Validation and Application in the Comparison of Different Similarity Evaluation methods
    • Good, A. C.; Peterson, S. J.; Richards, W. G. QSAR from Similarity Matrices. Technique Validation and Application in the Comparison of Different Similarity Evaluation methods. J. Med. Chem. 1993, 36, 2929-2937.
    • (1993) J. Med. Chem. , vol.36 , pp. 2929-2937
    • Good, A.C.1    Peterson, S.J.2    Richards, W.G.3
  • 12
    • 0028851251 scopus 로고
    • Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic AH Receptor Activity by Neural Networks
    • Wagener, M.; Sadowski, J.; Gasteiger, J.; Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic AH Receptor Activity by Neural Networks. J. Am. Chem. Soc. 1995, 117, 7769-7775.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 7769-7775
    • Wagener, M.1    Sadowski, J.2    Gasteiger, J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.