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首页> 外文期刊>Current Journal of Applied Science and Technology >QSAR Study of Series of HEPT (1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thyio)thymine) DerivativesUsing Genetic Function Approximation asAnti-HIV-1 Agents
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QSAR Study of Series of HEPT (1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thyio)thymine) DerivativesUsing Genetic Function Approximation asAnti-HIV-1 Agents

机译：使用遗传功能近似作为抗HIV-1试剂的一系列HEPT（1-[（（2-羟基乙氧基）甲基] -6-（苯硫基）胸腺嘧啶）衍生物的QSAR研究

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Aims/Objectives: Studies were performed to correlate the biological activity of the HEPT (1-[(2-hydroxyethoxy) methyl]-6-(phenylthio)thyio)thymine) 107 sets of compound with the independent descriptor to know the structural requirement of the drug receptor binding interaction.Methodology: Genetic function approximation algorithm (GFA) approach has been applied to linearly correlate dependent biological activities and independent descriptors. Genetic function approximation algorithm (GFA) has been widely used when the number of samples surpass the amount of descriptors.Results: The result obtained from the regression analysis is good and statistical values of multiple correlation coefficient R~(2)= 0.9118 and standard error of estimation (Se) = 0.4449, Fisher ratio (F) = 65.1139, Q~(2)_(LOO) = 0.8830 and Q~(2)_(L5O) = 0.8816 proves that the obtained mathematical model from the 107 sets of HEPT derivatives is the best.Conclusion: The role of RotBtFrac, VPC-5, SP-4 and SHaaCH is important to reduce the required concentration of the drug and so as LogP and Weta2.volume also play vital role in this concern.
机译：目的/目的：进行了研究以将HEPT（1-[（（2-羟基乙氧基）甲基] -6-（苯硫基）胸腺嘧啶）化合物的生物学活性与独立的描述词相关联，以了解其结构要求。方法学：遗传函数近似算法（GFA）方法已被用于线性相关的依赖的生物活性和独立的描述符。当样本数量超过描述子数量时，遗传函数近似算法（GFA）得到了广泛应用。结果：回归分析结果良好，多元相关系数R〜（2）= 0.9118，标准误为统计值估计（Se）= 0.4449，Fisher比率（F）= 65.1139，Q〜（2）_（LOO）= 0.8830和Q〜（2）_（L5O）= 0.8816证明了从107个集合中获得的数学模型结论：RotBtFrac，VPC-5，SP-4和SHaaCH的作用对于降低所需的药物浓度很重要，因此LogP和Weta2.volume在这一问题上也起着至关重要的作用。

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