메뉴 건너뛰기




Volumn 5, Issue , 2006, Pages 503-626

In silico prediction of ionization

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84906426888     PISSN: None     EISSN: None     Source Type: Book    
DOI: None     Document Type: Chapter
Times cited : (13)

References (170)
  • 19
    • 84906448233 scopus 로고
    • Theory of Acids and Bases. I. Relationship between Structure and Acidity and Basicity. II. Theory of Medium Effects on Acidity and Basicity
    • In, Fraissard, J., Petrakis, L., Eds.; NATO ASI Ser., Ser. C; Kluwer Academic Publishers: Dordrecht
    • Houk, K. N. Theory of Acids and Bases. I. Relationship between Structure and Acidity and Basicity. II. Theory of Medium Effects on Acidity and Basicity. In Acidity and Basicity of Solids: Theory, Assessments and Utility; Fraissard, J., Petrakis, L., Eds.; NATO ASI Ser., Ser. C; Kluwer Academic Publishers: Dordrecht, 1994, pp 33-51.
    • (1994) Acidity and Basicity of Solids: Theory, Assessments and Utility; , pp. 33-51
    • Houk, K.N.1
  • 56
  • 90
    • 0002664833 scopus 로고
    • Critical Compilation of Substituent Constants
    • In, Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York
    • Exner, O. Critical Compilation of Substituent Constants. In Correlation Analysis in Chemistry; Chapman, N. B., Shorter, J., Eds.; Plenum Press: New York, 1978, pp 439-540.
    • (1978) Correlation Analysis in Chemistry , pp. 439-540
    • Exner, O.1
  • 91
    • 0001061628 scopus 로고
    • Estimation of Chemical Reactivity Parameters and Physical Properties of Organic Molecuels Using SPARC
    • In, Politzer, P., Murray, J. S., Eds.; Elsevier Science: Amsterdam
    • Hilal, S. H.; Carreira, L. A.; Karickhoff, S. W. Estimation of Chemical Reactivity Parameters and Physical Properties of Organic Molecuels Using SPARC. In Theoretical and Computational Chemistry; Politzer, P., Murray, J. S., Eds.; Elsevier Science: Amsterdam, 1994, pp 291-353.
    • (1994) Theoretical and Computational Chemistry; , pp. 291-353
    • Hilal, S.H.1    Carreira, L.A.2    Karickhoff, S.W.3
  • 115
    • 0034367139 scopus 로고    scopus 로고
    • Artificial Neural Networks and Their Use in Chemistry
    • In, Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York
    • Peterson, K. L. Artificial Neural Networks and Their Use in Chemistry. In Reviews in Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; Wiley-VCH: New York, 2000, pp 53-140.
    • (2000) Reviews in Computational Chemistry , pp. 53-140
    • Peterson, K.L.1
  • 132
    • 84906445151 scopus 로고    scopus 로고
    • The Prediction of Water Solubility and of pKa values by Physicochemical Descriptors
    • In, 223rd American Chemical Society National Meeting and Exposition, Orlando, FL, Apr 7-11
    • Gasteiger, J.; Yan, A.-X.; Kleinüder, T. The Prediction of Water Solubility and of pKa values by Physicochemical Descriptors. In Chemical Information and Computation 2002, 223rd American Chemical Society National Meeting and Exposition, Orlando, FL, Apr 7-11, 2002, pp 98-102.
    • (2002) Chemical Information and Computation 2002 , pp. 98-102
    • Gasteiger, J.1    Yan, A.-X.2    Kleinüder, T.3
  • 139
    • 84906439962 scopus 로고    scopus 로고
    • Prediction of Dissociation Constants using Microconstants
    • In Conference Abstracts, 227th National Meeting of the American Chemical Society, Anaheim, CA, Mar 28-Apr 1, Gasteiger, J., Engel, T, Eds.; Wiley-VCH: Weinheim, Germany, 2003
    • Szegezdi, J.; Csizmadia, F. Prediction of Dissociation Constants using Microconstants. In Conference Abstracts, 227th National Meeting of the American Chemical Society, Anaheim, CA, Mar 28-Apr 1, 2004. Cheminformatics: A Textbook; Gasteiger, J., Engel, T, Eds.; Wiley-VCH: Weinheim, Germany, 2003.
    • (2004) Cheminformatics: A Textbook;
    • Szegezdi, J.1    Csizmadia, F.2
  • 140
    • 70350019754 scopus 로고    scopus 로고
    • Physiological Ionization and pKa Prediction
    • Metaphorics LLC, (accessed May 2006)
    • Sayle, R. Physiological Ionization and pKa Prediction. Metaphorics LLC, 2000, http://www.daylight.com/meetings/emug00/Sayle/pkapredict.html (accessed May 2006).
    • (2000)
    • Sayle, R.1
  • 154
    • 84906425435 scopus 로고    scopus 로고
    • Calculations of Ionization Equilibria in Proteins
    • In, Svendsen, A., Ed. ; Marcel Dekker: New York
    • Karshikoff, A. Calculations of Ionization Equilibria in Proteins. In Enzyme Functionality'; Svendsen, A., Ed. ; Marcel Dekker: New York, 2004, pp 149-183.
    • (2004) Enzyme Functionality'; , pp. 149-183
    • Karshikoff, A.1
  • 159
    • 0002095396 scopus 로고
    • Ionization Constants of Heterocyclic Substances
    • In, Katritzky, A. R., Ed.; Academic Press: New York
    • Albert, A. Ionization Constants of Heterocyclic Substances. In Physical Methods in Heterocyclic Chemistry'; Katritzky, A. R., Ed.; Academic Press: New York, 1963.
    • (1963) Physical Methods in Heterocyclic Chemistry';
    • Albert, A.1
  • 167
  • 168
    • 84906455557 scopus 로고    scopus 로고
    • Tripos, Inc., (accessed May 2006)
    • Tripos, Inc. http://www.tripos.com/(accessed May 2006).
  • 169
    • 84906471159 scopus 로고    scopus 로고
    • Schrödinger, Inc., (accessed May 2006)
    • Schrödinger, Inc. http://www.schrodinger.com/(accessed May 2006).
  • 170
    • 84906455558 scopus 로고    scopus 로고
    • MDL, Inc., (accessed May 2006)
    • MDL, Inc. http://www.mdli.com/(accessed May 2006).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.