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Volumn 41, Issue 2, 2001, Pages 457-462

A quantum mechanical/neural net model for boiling points with error estimation

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Indexed keywords


EID: 0035272009     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0004614     Document Type: Article
Times cited : (44)

References (11)
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    • Viswanadhan, V.N.1    Reddy, M.R.2    Bacquet, R.J.3    Erion, D.M.4
  • 3
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    • Computer automated log P calculations based on an extended group contribution approach
    • Klopman, G.; Li, J.-Y.; Wang, S.; Dimayuga, M. Computer Automated log P Calculations Based on an Extended Group Contribution Approach. J. Chem. Inf. Comput. Sci. 1994, 34, 752-781.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.34 , pp. 752-781
    • Klopman, G.1    Li, J.-Y.2    Wang, S.3    Dimayuga, M.4
  • 4
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    • New group contribution method for estimating properties of pure compounds
    • Constantinou, L.; Ganu, R. New Group Contribution Method for Estimating Properties of Pure Compounds. AIChE J. 1994, 40, 237-244.
    • (1994) AIChE J. , vol.40 , pp. 237-244
    • Constantinou, L.1    Ganu, R.2
  • 6
    • 0042550599 scopus 로고
    • Saturated Hydrocarbons
    • Barton, D. H. R., Ollis, W. D., Eds.; Pergamon Press: Oxford, U.K.
    • Clark, T.; McKervey, M. A. Saturated Hydrocarbons. In Comprehensive Organic Chemistry; Barton, D. H. R., Ollis, W. D., Eds.; Pergamon Press: Oxford, U.K., 1979; Vol. 1; p 37.
    • (1979) Comprehensive Organic Chemistry , vol.1 , pp. 37
    • Clark, T.1    McKervey, M.A.2
  • 8
    • 0028990049 scopus 로고
    • Group contribution methods to estimate water solubilty of organic chemicals
    • Kuhne, R.; Ebert, R.-U.; Kleint, F.; Schmidt, G.; Schuurmann, G. Group Contribution Methods to Estimate Water Solubilty of Organic Chemicals. Chemosphere 1995, 30, 2061-2077.
    • (1995) Chemosphere , vol.30 , pp. 2061-2077
    • Kuhne, R.1    Ebert, R.-U.2    Kleint, F.3    Schmidt, G.4    Schuurmann, G.5
  • 9
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate water solubility and permiability in drug discovery and development settings
    • Lipinski, C. A.; Lomardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and Computational Approaches to Estimate Water Solubility and Permiability in Drug Discovery and Development Settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
    • (1997) Adv. Drug Delivery Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lomardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 10
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    • Dissertation, The Massachusettes Institute of Technology
    • Joback, K. G. M. S. Dissertation, The Massachusettes Institute of Technology, 1984.
    • (1984)
    • Joback, K.G.M.S.1
  • 11
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    • Estimation of normal boiling points from group contributions
    • Stein, S. E.; Brown, R. L. Estimation of Normal Boiling Points from Group Contributions. J. Chem. Inf. Comput. Sci. 1994, 24, 581-587.
    • (1994) J. Chem. Inf. Comput. Sci. , vol.24 , pp. 581-587
    • Stein, S.E.1    Brown, R.L.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.