To date semi-empirical or surrogate modeling has demonstrated great success in the prediction of the biologically relevant properties of polymeric materials. For the first time, a correlation between the chemical structures of poly(β-amino esters) and their efficiency in transfecting DNA was established using the novel technique of logical analysis of data (LAD). Linear combination and explicit representation models were introduced and compared in the framework of the present study. The most successful regression model yielded satisfactory agreement between the predicted and experimentally measured values of transfection efficiency (Pearson correlation coefficient, 0.77; mean absolute error, 3.83). It was shown that detailed analysis of the rules provided by the LAD algorithm offered practical utility to a polymer chemist in the design of new biomaterials.

中文翻译：

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聚合基因传递结构-活性研究中数据的逻辑分析

迄今为止，半经验或替代模型在预测聚合物材料的生物相关特性方面取得了巨大成功。首次使用数据逻辑分析 (LAD) 新技术建立了聚 (β-氨基酯) 化学结构与其转染 DNA 效率之间的相关性。在本研究的框架内引入并比较了线性组合和显式表示模型。最成功的回归模型在转染效率的预测值和实验测量值之间产生了令人满意的一致性（Pearson 相关系数，0.77；平均绝对误差，3.83）。