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    李绍军, 奚玮君, 钱锋. 改进的粒子群优化算法结合人工神经网络用于有机物毒性的QSAR研究[J]. 华东理工大学学报（自然科学版）, 2007, (6): 865-869.
    引用本文: 李绍军, 奚玮君, 钱锋. 改进的粒子群优化算法结合人工神经网络用于有机物毒性的QSAR研究[J]. 华东理工大学学报（自然科学版）, 2007, (6): 865-869.
    shu
    LI Shao-jun, XI Wei-jun, QIAN Feng. QSAR for Toxicities of Organic Substance Using Improved PSO Algorithm Combined with BP Artificial Neural Network[J]. Journal of East China University of Science and Technology, 2007, (6): 865-869.
    Citation: LI Shao-jun, XI Wei-jun, QIAN Feng. QSAR for Toxicities of Organic Substance Using Improved PSO Algorithm Combined with BP Artificial Neural Network[J]. Journal of East China University of Science and Technology, 2007, (6): 865-869.
    shu

    改进的粒子群优化算法结合人工神经网络用于有机物毒性的QSAR研究

    QSAR for Toxicities of Organic Substance Using Improved PSO Algorithm Combined with BP Artificial Neural Network

      摘要
    • 摘要: 介绍了粒子群优化算法和Alopex-B算法的基本原理,提出了一种用Alopex-B算法改进的粒子群优化算法,并将其应用于函数优化和有机物毒性的QSAR研究。结果表明:改进型粒子群算法对复杂的测试函数搜索效率明显提高,应用于有机物毒性的QSAR研究能提高计算的精确度,降低预测误差。

       

      Abstract: Particle swarm optimization algorithm and Alopex-B algorithm are introduced.By combining Alopex-B with PSO algorithm,a new improved algorithm called PSO-Alopex B is presented.Compared with original PSO,lower failure rates and less error can be achieved when searching the minimum of test functions.It is also used to research QSAR for toxicities of organic substances.The results of both function optimization and QSAR researching show that the improved PSO algorithm is (effective.)

       

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