Fuzzy Handling of Uncertainties in Modeling the Inhibition of Glycogen Synthase Kinase-3 by Paullones
Fuzzy Handling of Uncertainties in Modeling the Inhibition of Glycogen Synthase Kinase-3 by Paullones
复制标题
Paullones 糖原合酶激酶 3 抑制建模中不确定性的模糊处理
DOI：
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发表时间：
2007
期刊：
影响因子：
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通讯作者：
R. Stoll
中科院分区：
文献类型：
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作者：
Mohit Kumar;K. Thurow;N. Stoll;R. Stoll
我们考虑的问题建模的生物活性的抑制剂（属于paullone家族）的糖原合成酶激酶-3（GSK-3）。建立定量构效关系（QSAR）的非线性模型的发展涉及到分子描述符的最佳选择，模型的结构，自由模型参数的数量等方面的不确定性，本研究主张使用模糊过滤器，在数学上考虑到潜在的不确定性，处理的不确定性。建模性能的不确定性与模糊滤波器的帮助下，防止受到不利影响。我们表明，鲁棒性的建模性能对不确定性可以实现使用所提出的方法。
We consider the problem of modeling the biological activity of inhibitors (belonging to the paullone family) for Glycogen Synthase Kinase-3 (GSK-3). The development of a nonlinear model that establishes the quantitative structure-activity relationship (QSAR) involves an uncertainty regarding the optimal choice of molecular descriptors, structure of the model, number of free model parameters, and so on. This study advocates the use of a fuzzy filter, that mathematically takes into account the underlying uncertainties, for the handling of the uncertainties. The modeling performance is prevented from being adversely affected by the uncertainties with the help of a fuzzy filter. We demonstrate that a robustness of the modeling performance against uncertainties could be achieved using the proposed approach.