A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calcul...A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares （PLS）. The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.展开更多
局部遮阴条件下光伏阵列的功率-电压特性曲线出现多个峰值,传统最大功率点跟踪(maximum power point tracking, MPPT)技术无法准确追踪到全局最大功率点。针对该问题提出一种基于改进算术优化算法(improved arithmetic optimization alg...局部遮阴条件下光伏阵列的功率-电压特性曲线出现多个峰值,传统最大功率点跟踪(maximum power point tracking, MPPT)技术无法准确追踪到全局最大功率点。针对该问题提出一种基于改进算术优化算法(improved arithmetic optimization algorithm, IAOA)的MPPT控制方法。首先,采用Sobol序列生成均匀分布的初始种群,增加种群多样性。其次,为了平衡算术优化算法(arithmetic optimization algorithm, AOA)的全局搜索和局部开发能力,对AOA中数学优化器加速函数的权重进行重构。最后,在AOA的位置更新中引入Lévy飞行策略,并将准反向学习用于每次更新后的最佳解,增强了算法的收敛速度和跳出局部最优的能力。仿真和实验结果表明,将改进后的算法应用于MPPT控制中,能够在不同的局部遮阴及光照突变条件下准确、快速地跟踪到全局最大功率点,且功率振荡小。展开更多
文摘A quantitative structure-activity relationships （QSAR） study is suggested for the prediction of solubility of some thiazolidine-4- carboxylic acid derivatives in aqueous solution. Ab initio theory was used to calculate some quantum chemical descriptors including electrostatic potentials and local charges at each atom, HOMO and LUMO energies, etc. Modeling of the solubility of thiazolidine- 4-carboxylic acid derivatives as a function of molecular structures was established by means of the partial least squares （PLS）. The subset of descriptors, which resulted in the low prediction error, was selected by genetic algorithm. This model was applied for the prediction of the solubility of some thiazolidine-4-carboxylic acid derivatives, which were not in the modeling procedure. The relative errors of prediction lower that -4% was obtained by using GA-PLS method. The resulted model showed high prediction ability with RMSEP of 3.8836 and 2.9500 for PLS and GA-PLS models, respectively.
