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11.
Jeffrey W. Godden Florence L. Stahura Jürgen Bajorath 《Journal of computational chemistry》1999,20(15):1634-1643
The results of 16 docking simulations with rigid receptor sites and flexible ligands (∼60,000 compounds in each case) are statistically analyzed and compared. Different combinations of binding sites, scoring functions, and compound collections are used in these calculations. The docking scores are not randomly distributed over the scoring range; they follow Gaussian distributions (regardless of the binding sites), scoring functions, or screened compounds. If the docking sites are small, the Gaussian distributions are positively skewed. Peaks of the Gaussian distributions are populated with compounds having similar scores but different sizes and binding modes. These findings have implications for compound selection via computational docking. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 1634–1643, 1999 相似文献
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To extract fault features of rolling bearing vibration signals precisely, a fault diagnosis method based on parameter optimized multi-scale permutation entropy (MPE) and Gath-Geva (GG) clustering is proposed. The method can select the important parameters of MPE method adaptively, overcome the disadvantages of fixed MPE parameters and greatly improve the accuracy of fault identification. Firstly, aiming at the problem of parameter determination and considering the interaction among parameters comprehensively of MPE, taking skewness of MPE as fitness function, the time series length and embedding dimension were optimized respectively by particle swarm optimization (PSO) algorithm. Then the fault features of rolling bearing were extracted by parameter optimized MPE and the standard clustering centers is obtained with GG clustering. Finally, the samples are clustered with the Euclid nearness degree to obtain recognition rate. The validity of the parameter optimization is proved by calculating the partition coefficient and average fuzzy entropy. Compared with unoptimized MPE, the propose method has a higher fault recognition rate. 相似文献
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This paper considers a flexible class of omnibus affine invariant tests for the hypothesis that a multivariate distribution is symmetric about an unspecified point. The test statistics are weighted integrals involving the imaginary part of the empirical characteristic function of suitably standardized given data, and they have an alternative representation in terms of an L2-distance of nonparametric kernel density estimators. Moreover, there is a connection with two measures of multivariate skewness. The tests are performed via a permutational procedure that conditions on the data. 相似文献
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《Physics letters. A》2020,384(15):126304
A generalized treatment of skew-cosh-Gaussian lasers with skewness parameters n and s is provided for obtaining bifocal terahertz radiation in a realistic plasma having electron-neutral collisions. In order to find and control the focusing of the radiation, a relation is established between the position of the peak of the radiation field and the parameters n and s. The significant role of these parameters in getting bifocal radiation or its conversion to unifocal radiation (or vice-versa) with a proposal for enhanced efficiency of the scheme is discussed in detail for its medical applications. 相似文献
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首先建立了摩擦市场条件下基于收益率分布偏度水平的双目标投资组合模型.在此基础上,将模糊集合的概念引入到该模型中,用模糊数学中的线性隶属函数处理了其中的风险目标和收益目标,建立了摩擦市场条件下基于收益率分布偏度水平的模糊型双目标投资组合模型.然后,针对该模型进行了新型遗传算法设计(动态遗传算法).最后用一个具体的算例给出了该模型的一个实例最优解,体现了多样化投资分散风险的组合投资原理. 相似文献
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Correlation coefficients have many applications for studying the relationship among multivariate observations. Classical inferences on correlation coefficients are mainly based on the normality assumption. This assumption is hardly realistic in the real world, which implies that the procedures on correlation coefficients used in many statistical software packages may not be relevant to most data sets in practice. However, we show that the classical procedures, possibly after simple corrections, are also valid in classes of distributions with large skewnesses and heterogeneous marginal kurtoses. A useful class of nonnormal distributions is identified for each of several types of correlation coefficients. The marginals of these distributions may include a variety of univariate distributions with different shapes. The results generalize the classical procedures to much larger classes of distributions than previously known and give a better understanding of the historical controversy regarding the behavior of the sample correlation coefficient. An implication is that one need not be worried so much by the nonnormality of data sets when using these classical procedures, providing simple corrections are evaluated and possibly undertaken. 相似文献
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利用温度脉动仪对大气折射率结构常数进行测量,通过在铁塔上不同测量高度架设温度脉动仪,对戈壁地区近地面层开展长期连续测量。从各测量高度折射率结构常数的累积概率、偏度与峰度、季节变化、高度经验关系等四个方面对大量实验数据统计分析,结果表明:测量地区大气折射率结构常数白天和夜间的累积概率以18m为区别界限,表现出明显的不同;所有测量高度折射率结构常数的概率分布均表现出右偏、平峰特性;季节变化对低层折射率结构常数的影响更为明显;测量地区折射率结构常数随高度变化的经验公式表明,白天折射率结构常数随高度递减接近"-2/3"指数,夜间折射率结构常数的高度变化则是表现出层次性,低层折射率结构常数随高度递减接近"-0.16"指数,而高层变化则接近"-1.05"指数。 相似文献