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0026239745
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A Method for the Prediction of Critical Temperature and Pressure of Pure Fluids
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Bea, H.-K.; Lee, S.-Y. A Method for the Prediction of Critical Temperature and Pressure of Pure Fluids. Fluid Phase Equilibria 1991, 66, 225-232.
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Bea, H.-K.1
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0028465367
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Prediction of Boiling Points and Critical Temperatures of Industrially Important Organic Compounds from Molecular Structure
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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.
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Egolf, L.M.1
Wessel, M.D.2
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0011399759
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Acute Mammalian Structure for a Diverse Set of Substituted Anilines Using Regression Analysis and Computational Neural Networks
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van de Waterbeemd, H., Testa, B., Folkers, G., Eds.; Verlag Helvetica Chimica Acta: Basel
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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.
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Computer-Assisted Lead Finding and Optimization
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Johnson, S.R.1
Jurs, P.C.2
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0000322343
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Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure
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Mitchell, B. E.; Jurs, P. C. Prediction of Autoignition Temperatures of Organic Compounds from Molecular Structure. J. Chem. Inf. Comput. Sci. 1997, 37, 538-547.
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J. Chem. Inf. Comput. Sci.
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Mitchell, B.E.1
Jurs, P.C.2
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0043287365
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Prediction of Supercritical Carbon Dioxide Solubility of Organic Compounds from Molecular Structure
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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.
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J. Chem. Inf. Comput. Sci.
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Engelhardt, H.L.1
Jurs, P.C.2
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0004045548
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Selection of Molecular Structure Descriptors for Quantitative Structure-Activity Relationships
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Kalivas, J. H., Ed.; Elsevier Science Publishers B. V.: Amsterdam
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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.
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Adaption of Simulated Annealing to Chemical Problems
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Sutter, J.M.1
Jurs, P.C.2
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0003445460
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Daubert, T. E., Danner R. P., Eds.; Hemisphere Publishing: New York
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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.
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Hypercube, Inc., Waterloo, ON
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Hypercube, Inc., Waterloo, ON.
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0011399788
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MOPAC 6.0
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Indiana University, Bloomington, IN, Program
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Stewart, J. P. P. MOPAC 6.0, Quantum Chemistry Program Exchange; Indiana University, Bloomington, IN, Program 455.
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Quantum Chemistry Program Exchange
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Stewart, J.P.P.1
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0025390935
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MOPAC, A Seimemperical Molecular Orbital Program
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Stewart, J. P. P. MOPAC, A Seimemperical Molecular Orbital Program. J. Comput.-Aided Mol. Des. 1990, 4, 1.
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Stewart, J.P.P.1
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Development and Use of Charged Partial Surface Area Structural Descriptors for Quantitative Structure - Property Relationship Studies
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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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(1990)
Anal. Chem.
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Stanton, D.T.1
Jurs, P.C.2
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14
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0000845639
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Computer Assisted Study of the Relationship between Molecular Structure and Henry's Law Constant
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Russell, C. J.; Dixon, S. L.; Jurs, P. C. Computer Assisted Study of the Relationship Between Molecular Structure and Henry's Law Constant. Anal. Chem. 1992, 64, 1350.
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(1992)
Anal. Chem.
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Russell, C.J.1
Dixon, S.L.2
Jurs, P.C.3
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0000915947
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Computer Assisted Prediction of Normal Boiling Points of Furans, Tetrahydrofurans, and Thiophenes
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Stanton D. T.; Jurs, P. C. Computer Assisted Prediction of Normal Boiling Points of Furans, Tetrahydrofurans, and Thiophenes. J. Chem. Inf. Comput. Sci. 1991, 31, 301.
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(1991)
J. Chem. Inf. Comput. Sci.
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Stanton, D.T.1
Jurs, P.C.2
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0028287738
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Quantitative Structure-roperty Relationships for Toxicity of Phenols Using Regression Analysis and Computational Neural Networks
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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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(1994)
Environ. Toxical. Chem.
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Xu, L.1
Ball, J.W.2
Dixon, S.L.3
Jurs, P.C.4
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