Pattern Recognition for the Antitumour Activity of Some Fluorescein Derivatives

Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (7): 954.

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Pattern Recognition for the Antitumour Activity of Some Fluorescein Derivatives

LI Bing-Rui, HE Feng-Ying, WANG Liu-Fang

Department of Chemistry, Lanzhou University, Lanzhou, 730000

Received:1992-07-09 Revised:1992-12-22 Online:1993-07-24 Published:1993-07-24

Abstract

Abstract: In this paper, some antitumour fluorescein derivatives were classified according to their activity using Non-Linear Mapping (NLM) pattern recognition techniques.Three sets of structural parameters, {ΣMR, F₂, (Σ)²}, {ΣMR, F₂, π₃} and {ΣMR, ΣF, (Σπ)²} were screened out.The results showed that the main structural factors influencing the antitumour activity of these substances are their molar refraction, hydrophobicity and field inductive effect, especially field inductive effect of 2-substituent, whereas conjugative effect is not.The forecast model about antitumour activity of the derivatives were established and further syntheses were suggested by this research.

Key words: Pattern recognition, Structure-Activity relationship, Fluorescein derivatives, Antitumour activity

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LI Bing-Rui, HE Feng-Ying, WANG Liu-Fang. Pattern Recognition for the Antitumour Activity of Some Fluorescein Derivatives[J]. Chem. J. Chinese Universities, 1993, 14(7): 954.

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Pattern Recognition for the Antitumour Activity of Some Fluorescein Derivatives

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