메뉴 건너뛰기




Volumn 36, Issue 5, 1996, Pages 1004-1014

Boiling point and critical temperature of a heterogeneous data set: QSAR with atom type electrotopological state indices using artificial neural networks

Author keywords

Artificial neural network; Atom type; Boiling point; Critical temperature; Electrotopological state (E state); Molconn; QSAR QSPR

Indexed keywords


EID: 0000497238     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci960375x     Document Type: Article
Times cited : (110)

References (17)
  • 1
    • 0039986548 scopus 로고
    • An Atom-Centered Index for Drug QSAR Models
    • Testa, B., Ed.; Academic Press
    • Kier, L. B.; Hall, L. H. An Atom-Centered Index for Drug QSAR Models. In Advances in Drug Design; Testa, B., Ed.; Academic Press: 1992; Vol. 22.
    • (1992) Advances in Drug Design , vol.22
    • Kier, L.B.1    Hall, L.H.2
  • 2
    • 0029404240 scopus 로고
    • Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological and Valence State Information
    • Hall, L. H.; Kier, L. B. Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological and Valence State Information. J. Chem. Inf. Comput. Sci. 1995, 35, 1039-1045.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 1039-1045
    • Hall, L.H.1    Kier, L.B.2
  • 3
    • 0025155575 scopus 로고
    • An Electrotopological State Index for Atoms in Molecules
    • Kier, L. B.; Hall, L. H. An Electrotopological State Index for Atoms in Molecules. Pharm. Res 1990, 7, 801-807.
    • (1990) Pharm. Res , vol.7 , pp. 801-807
    • Kier, L.B.1    Hall, L.H.2
  • 4
    • 33751499087 scopus 로고
    • The Electrotopological State: Structure Information at the Atomic Level for Molecular Graphs
    • Hall, L. H.; Mohney, B. K.; Kier, L. B. The Electrotopological State: Structure Information at the Atomic Level for Molecular Graphs. J. Chem. Inf. Comput. Sci. 1991, 31, 76-82.
    • (1991) J. Chem. Inf. Comput. Sci. , vol.31 , pp. 76-82
    • Hall, L.H.1    Mohney, B.K.2    Kier, L.B.3
  • 5
    • 33846346097 scopus 로고
    • An Index of Electrotopological State for Atoms in Molecules
    • Hall, L. H.; Kier, L. B. An Index of Electrotopological State for Atoms in Molecules. J. Math Chem. 1991, 7, 229-241.
    • (1991) J. Math Chem. , vol.7 , pp. 229-241
    • Hall, L.H.1    Kier, L.B.2
  • 6
  • 8
    • 0027288699 scopus 로고
    • Comparison of Electrotopological State Indices with Molecular Orbital Parameters: Inhibition of MAO by Hydrazides
    • Hall, L. H.; Mohney, B. K.; Kier, L. B. Comparison of Electrotopological State Indices with Molecular Orbital Parameters: Inhibition of MAO by Hydrazides. Quant. Struct.-Act. Relat. 1993, 12, 44-48.
    • (1993) Quant. Struct.-Act. Relat. , vol.12 , pp. 44-48
    • Hall, L.H.1    Mohney, B.K.2    Kier, L.B.3
  • 9
    • 0000335023 scopus 로고
    • Binding of Salicylamides: QSAR Analysis with Electrotopological State Indexes
    • Hall, L. H.; Kier. L. B. Binding of Salicylamides: QSAR Analysis with Electrotopological State Indexes. Med. Res. Rev. 1992, 2, 497-502.
    • (1992) Med. Res. Rev. , vol.2 , pp. 497-502
    • Hall, L.H.1    Kier, L.B.2
  • 10
    • 0029406724 scopus 로고
    • Molecular Similarity Based on Novel Atom Type Electrotopological State Indices
    • Hall, L. H.; Kier, L. B.; Brown, B. B. Molecular Similarity Based on Novel Atom Type Electrotopological State Indices. J. Chem. Inf. Comput. Sci. 1995, 35, 1074-1080.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 1074-1080
    • Hall, L.H.1    Kier, L.B.2    Brown, B.B.3
  • 11
    • 0028465367 scopus 로고
    • Prediction of Boiling Points and Critical Temperatures of Industrially Important Organic Compounds from Molecular Structure
    • Egolf, L. M.; Wessel, M. D.; Jurs, P. C. Prediction of Boiling Points and Critical Temperatures of Industrially Important Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 1994, 34, 947-956.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 947-956
    • Egolf, L.M.1    Wessel, M.D.2    Jurs, P.C.3
  • 13
    • 0027899521 scopus 로고
    • Implementation of the Three-Dimensional-Pattern Search Problem on Hopfield-like Neural Networks
    • Feuilleaubois, E.; Fabart, V.; Doucet, J. P. Implementation of the Three-Dimensional-Pattern Search Problem on Hopfield-like Neural Networks. SAR QSAR Environ. Res. 1993, 1, 97- 114.
    • (1993) SAR QSAR Environ. Res. , vol.1 , pp. 97-114
    • Feuilleaubois, E.1    Fabart, V.2    Doucet, J.P.3
  • 14
    • 0028465825 scopus 로고
    • Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds
    • Gakh, A.; Gakh, E.; Sumpter, B.; Noid, D. Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds. J. Chem. Inf. Comput. Sci. 1994, 34, 832-839.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 832-839
    • Gakh, A.1    Gakh, E.2    Sumpter, B.3    Noid, D.4
  • 15
    • 0028287738 scopus 로고
    • Quantitative Structure-Activity Relationships for Toxicity of Phenols Using Regression Analysis and Computational Networks
    • Xu, L.; Ball, J.; Dixon, S.; Jurs, P. Quantitative Structure-Activity Relationships for Toxicity of Phenols Using Regression Analysis and Computational Networks. Environ. Toxicol. Chem. 1994, 13. 841-851.
    • (1994) Environ. Toxicol. Chem. , vol.13 , pp. 841-851
    • Xu, L.1    Ball, J.2    Dixon, S.3    Jurs, P.4
  • 16
    • 85033850294 scopus 로고    scopus 로고
    • Hall Associates: 2 Davis Street, Quincy, MA 02170
    • Molconn-Z (Molconn-X ver 3.0); Hall Associates: 2 Davis Street, Quincy, MA 02170.
    • Molconn-Z (Molconn-X Ver 3.0)
  • 17
    • 85033842501 scopus 로고    scopus 로고
    • Cheshire Engineering Corp.: 650 Sierra Madre Villa Avenue, Pasadena, CA 91107
    • Neuralyst; Cheshire Engineering Corp.: 650 Sierra Madre Villa Avenue, Pasadena, CA 91107.
    • Neuralyst


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.