中文

Journal of Applied Sciences ›› 2000, Vol. 18 ›› Issue (3): 267-270.

• Articles • Previous Articles     Next Articles

Optimal Map Recognition Method Applied to Molecular Sieving of Antifungal Activities of 1-(1H-1, 2, 4-Triazole-1-Y1)-2-(2, 4-Difluorophenyl)-3-Substituted-2-Propanols and Their Reduced Products

LU Wen-cong1, SU Xiao1, FENG Jian-xing1, CHEN Nian-yi2   

  1. 1. Department of Chemistry, Shanghai University, Shanghai 201800, China;
    2. Shanghai Institute of Metallurgy, Chinese Academy of Sciences, Shanghai 200050, China
  • Received:1999-07-23 Revised:1999-11-20 Online:2000-09-30 Published:2000-09-30

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Abstract: A new pattern recognition method called optimal map recognition (OMR) method is proposed to select the optimal projection map among various pattern recognition maps. The inequalities describing the boundary conditions of optimal samples in original space can be established by OMR method. The OMR method has been successfully applied to computer-aided molecular sieving of antifungal activities of 1 -(1H-1, 2, 4-triazole-1-yl)-2 -(2, 4-difluorophenyl)-3 substituted-2-propanols and their reduced products. The new compounds with probably higher anti-fungicidal activities are determined by the inequalities describing the boundary conditions of samples with high antifungal activities in original space.

Key words: 1,2,4-triazole, anti-fungicidal activity, pattern recognition, optimal map recognition method

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