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2000 | 47 | 1 |

Tytuł artykułu

Self-organizing neural network for modelling 3D QSAR of colchicinoids

Autorzy

Warianty tytułu

Języki publikacji

EN

Abstrakty

EN
A novel scheme for modeling 3D QSAR has been developed. A method involving multiple self-organizing neural network adjusted to be analyzed by the PLS (partial least squares) analysis was used to model 3D QSAR of the selected colchicinoids. The model obtained allows the identification of some structural determinants of the biological activity of compounds.

Słowa kluczowe

Wydawca

-

Rocznik

Tom

47

Numer

1

Opis fizyczny

p.37-45,fig.

Twórcy

autor
  • University of Silesia, 40-006 Katowice, Poland

Bibliografia

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  • 13. Pyle, E.A. & Hastie, S.B. (1993) Conformational analysis of colchicinoids containing an electron-deficient aromatic ring on the B ring. J. Org. Chem.. 58, 2751-2759.
  • 14. Boye, O., Itoh, Y. & Brossi, A. (1989) 185. Deaminocolchicinyl methyl ether: Synthesis from 2,3,4,4'-tetramethoxybiphenyl-2-carbaldehyd. Comparison of antitubulin effects of deaminocolchicinyl methyl ether and dehydroanalogs. Helv. Chim. Acta 72, 1690- 1696.
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  • 24. Anzali, S., Gasteiger, J., Holzgrabe, U., Polanski, J., Sadowski, J., Tackentrup, A., Wagener, M. (1998) The use of self-organizing neural networks in drug design; in 3D QSAR in Drug Design (Kubinyi, H., Folkers, G. & Martin, Y.C., eds), vol. 2, pp. 273-299, ESCOM/ Kluwer, Dordrecht.
  • 25. Polanski, J., Gasteiger, J., Wagener, M. & Sadowski, J. (1998) The comparison of molecular surfaces by neural networks and its application to quantitative structure activity studies. Quant. Struct. Act. Relat. 17, 27-36.
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  • 33. Polanski, J. (2000) The non-grid technique for modeling 3D QSAR using self-organizing neural network (SOM) and PLS analysis: Application to steroids and colchicinoids. SAR QSAR Env. Sci. (in press).
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  • 35. Dahl, J.R., Staretz, M.E., Potenziano, J.L. & Hastie, S.B. (1998) 3D QSAR Analysis of Colchicine Analogs, http://chemiris.chem. binghamton.edu/HASTIE/QSAR_POSTER/qsar_poster.html
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Typ dokumentu

Bibliografia

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Identyfikator YADDA

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