Department of Biophysics, Tarbiat Modares University, Tehran, Iran.
Comput Biol Med. 2009 Dec;39(12):1089-95. doi: 10.1016/j.compbiomed.2009.09.003. Epub 2009 Oct 24.
Regarding the great potential of dual binding site inhibitors of acetylcholinesterase as the future potent drugs of Alzheimer's disease, this study was devoted to extraction of the most effective structural features of these inhibitors from among a large number of quantitative descriptors. To do this, we adopted a unique approach in quantitative structure-activity relationships. An efficient feature selection method was emphasized in such an approach, using the confirmative results of different routine and novel feature selection methods. The proposed methods generated quite consistent results ensuring the effectiveness of the selected structural features.
针对乙酰胆碱酯酶双重结合位点抑制剂作为治疗老年痴呆症的潜在特效药物这一巨大潜力，本研究致力于从大量定量描述符中提取这些抑制剂的最有效结构特征。为此，我们在定量构效关系研究中采用了一种独特的方法，强调了一种有效的特征选择方法，使用了不同常规和新颖特征选择方法的确认结果。所提出的方法产生了相当一致的结果，确保了所选结构特征的有效性。
