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Volumn 38, Issue 4, 1998, Pages 639-645

Prediction of critical temperatures and pressures of industrially important organic compounds from molecular structure

Author keywords

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Indexed keywords


EID: 0001120637     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci9800054     Document Type: Article
Times cited : (39)

References (17)
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  • 2
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    • Prediction of Boiling Points and Critical Temperatures of Industrially Important Organic Compounds from Molecular Structure
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  • 4
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    • Acute Mammalian Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks
    • van de Waterbeemd, H., Testa, B., Folkers, G., Eds.; Verlag Helvetica Chimica Acta: Basel
    • Johnson, S. R.; Jurs, P. C. Acute Mammalian Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks. In Computer-Assisted Lead Finding and Optimization; van de Waterbeemd, H., Testa, B., Folkers, G., Eds.; Verlag Helvetica Chimica Acta: Basel, 1997.
    • (1997) Computer-Assisted Lead Finding and Optimization
    • Johnson, S.R.1    Jurs, P.C.2
  • 5
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    • Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure
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    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 538-547
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  • 6
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    • Engelhardt, H. L.; Jurs, P. C. Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 1997, 37, 478-484.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 478-484
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  • 8
    • 0004045548 scopus 로고
    • Selection of Molecular Structure Descriptors for Quantitative Structure-Activity Relationships
    • Kalivas, J. H., Ed.; Elsevier Science Publishers B. V.: Amsterdam
    • Sutter, J. M.; Jurs, P. C. Selection of Molecular Structure Descriptors for Quantitative Structure-Activity Relationships. In Adaption of Simulated Annealing to Chemical Problems; Kalivas, J. H., Ed.; Elsevier Science Publishers B. V.: Amsterdam, 1995.
    • (1995) Adaption of Simulated Annealing to Chemical Problems
    • Sutter, J.M.1    Jurs, P.C.2
  • 9
    • 0003445460 scopus 로고
    • Daubert, T. E., Danner R. P., Eds.; Hemisphere Publishing: New York
    • Design Institute for Physical Property Data (DIPPR). Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation; Daubert, T. E., Danner R. P., Eds.; Hemisphere Publishing: New York, 1989: Vol. 1-4.
    • (1989) Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation , vol.1-4
  • 10
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    • Hypercube, Inc., Waterloo, ON
    • Hypercube, Inc., Waterloo, ON.
  • 12
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    • MOPAC, A Seimemperical Molecular Orbital Program
    • Stewart, J. P. P. MOPAC, A Seimemperical Molecular Orbital Program. J. Comput.-Aided Mol. Des. 1990, 4, 1.
    • (1990) J. Comput.-Aided Mol. Des. , vol.4 , pp. 1
    • Stewart, J.P.P.1
  • 13
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    • Development and Use of Charged Partial Surface Area Structural Descriptors for Quantitative Structure - Property Relationship Studies
    • Stanton, D. T.; Jurs, P. C. Development and Use of Charged Partial Surface Area Structural Descriptors for Quantitative Structure - Property Relationship Studies. Anal. Chem. 1990, 62, 2323.
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    • Stanton, D.T.1    Jurs, P.C.2
  • 14
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    • Computer Assisted Study of the Relationship between Molecular Structure and Henry's Law Constant
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    • (1991) J. Chem. Inf. Comput. Sci. , vol.31 , pp. 301
    • Stanton, D.T.1    Jurs, P.C.2
  • 17
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    • Quantitative Structure-roperty Relationships for Toxicity of Phenols Using Regression Analysis and Computational Neural Networks
    • Xu, L.; Ball, J. W.; Dixon, S. L.; Jurs, P. C. Quantitative Structure-roperty Relationships for Toxicity of Phenols Using Regression Analysis and Computational Neural Networks. Environ. Toxical. Chem. 1994, 13, 841.
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    • Xu, L.1    Ball, J.W.2    Dixon, S.L.3    Jurs, P.C.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.