| Title | Trends in quantitative structure-physical property relations | |
| Author | George Maroulis
Department of Chemistry, University of Patras, GR-26110 Patras, Greece |
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| Citation | Maroulis, G.: Trends in quantitative structure-physical property relations, Epitheorese Klin. Farmakol. Farmakokinet. 9(2-3): 135-138 (1995) | |
| Publication Date | 1995 | |
| Full Text Language | English | |
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| Keywords | Quantitative structure physical property relationships (QSPR), drug design. | |
| Other Terms | review article | |
| Summary | The development of Quantitative Structure-Physical Property Relationships (QSPR) constitutes a major effort to rationalize the correlation between molecular structure/molecular geometry and physical properties. The idea of introducing a mathematical quantity Q in a class of related molecular substances, such that: for two distinct molecules M1 and M2, Q(M-1) and Q(M2), is a very attractive one. Various applications have been proposed, ranging from studies involving the understanding of the dependence of important properties/activities on structural characteristics to drug and molecular design. In late years various molecular descriptors or topological indices were proposed for the solution of particular problems. The introduction of universal or widely applied indices that would prove adequate for large classes of problems has never been lost sight of. Current trends and recent results are reviewed in this paper. | |
| References | 1. A.L. Horveah: Molecular Design. Chemical structure generation from the properties of pure organic compounds. Elsevier, Amsterdam, 1992
2. N. Trinajstic: Chemical Graph Theory. 2nd revised edition (and references there in), CRC, Boca Raton 1992 3. R. B. King, D. H. Rouvray (Eds) Graph Theory and Topology in Chemistry, Elsevier, Amsterdam, 1987 4. A.T. Balaban: J. Chem. Inf. Comput. Sci. 25: 334 (1985) 5. A.T. Belaban: J. Chem. Inf. Comput. Sci. 32: 23 (1992) 6. Z. Mihalic, S. Nikolic, N. Trinajstic: J. Chem. Inf. Comput. Sci. 32: 28 (1992) 7. M. Randic, N. Trinajstic: J Mol. Struct. 284: 209 (1993) 8. M. Randic, A.F. Kleiner, L.M. De Alba: J. Chem. Inf. Comput Sci. 34: 277 (1994) 9. D. Bonchev, N. Trinajstic: J. Chem. Phys. 67: 4517 (1977) 10. C.C. Tsai, M. Johnson, V. Nicholson, M. Naim: page 231 in ref. 3 and references therein 11. Z. Mihalic, N. Trinajstic: J. Chem. Educ. 69: 701 (1992) 12. N. Adler, L Kovacic-Beck: page 194 in ref. 3 13. D. Bonchev, O. Mekenyan, N. Trinajstic: J. Comput. Chem. 2: 127 (1981) 14. M. Johnson, M Nain, V. Nicholson, C.C. Tsai: page 219 in ref. 3 |
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| Relative Papers |
Online ISSN 1011-6575
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Articles published in this Journal are Indexed or Abstracted in: • Chemical Abstracts • Elsevier’s Bibliographic Databases: Scopus, EMBASE, EMBiology, Elsevier BIOBASE SCImago Journal and Country Rank Factor
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| ΕΤΗΣΙΑ ΣΥΝΔΡΟΜΗ 1995 – ANNUAL SUBSCRIPTION 1995 | |
| Γλώσσα Πλήρους Κειμένου – Full Text Language | Αγγλικά – English |
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