期刊文献+

神经网络在药物定量构效关系(QSAR)研究中的应用 被引量:3

Application of neural network to the study of QSAR
暂未订购
导出
摘要 神经网络已经在模式识别、信号处理和图像处理等领域取得了显著的成绩 .近几年来 ,神经网络也在药物定量构效关系 (QSAR)中得到了广泛的应用 ,取得了拟合精度高和预测能力强的效果 .本文介绍了神经网络的基本原理 ,综述了神经网络在定量构效关系中的应用 。 Neural network (NN ) methods have achieved great successes in the fields of model recognition,signal and image treatment etc.And NN was widely applied to the study of quantitative structure- activity relationship (QSAR) .The better parameter estimation and prediction have been obtained.This paper presents the fundamentals of NN,reviews its application to QSAR and points out some problems in its application
出处 《医学争鸣》 CAS 1998年第S1期63-65,共3页 Negative
关键词 神经网络 定量构效关系 比较分子场法 neural network QSAR Co MFA
  • 相关文献

参考文献5

二级参考文献9

共引文献22

同被引文献45

  • 1罗一帆,陈剑经,许旋,赖步英,冯清春.HEPT 类似物的电子结构与抗 HIV 活性的关系研究[J].计算机与应用化学,2004,21(5):665-668. 被引量:7
  • 2罗一帆,许旋,陈剑经,陈子超.非核苷类逆转录酶抑制剂抗HIV活性与其分子结构的关系[J].计算机与应用化学,2005,22(2):117-120. 被引量:3
  • 3Martin,Christoph HB,Martine C,et al.The use of sulfonylamido pyrimidines incorporating an unsaturaled side chain as endothelin receptor antagonists[J].Bioor & Med Chem,2003,13(5):955.
  • 4Stein PD,Flovd DM,Bisaha S,et al.Discovery and structure activity relationships of sulfonamide ETA selective antagonists[J].J Med Chem,1995,38(2):1344.
  • 5Wemer N.Volker B,kaspar B,et al.Discovery of RO 48-5695:A potent mixed endothelin receptor antagonist optimized from Bosentan[J].Hioorg & Med Chem,1997,17(7):2223.
  • 6Andrew L. Hopkins, Jingshan ren, Hiromichi Tanaka, Masnaori Baba, Mika Okanato, David I. Stuart, David K. Stammers. Desing of MKC-442 (Eminirine) analogues with improved activity against drug-resistant HIV mutants. J Med Chem, 1999, 42:4500 -4505.
  • 7Alves CN, Pinheiro JC, Camargo AJ, Ferreira MMC and Da Silva ABF. A structure-activity relationship study of HEPT-analog compounds with anti-HIV activity. Journal of Molecular Structure(Thcochcm), 2000, 530:39 -47.
  • 8Robert C. Rizzo, Julian Tirado-Rives and William L. Jorgensen.Estimation of binding affinities for HEPT and nevirapine analogues with HIV-1 reverse transcriptase via monte carlo simulations. J Med Chem, 2001, 44:145 - 154.
  • 9Tang KL and Li TH. Combining PLS with GA-GP for QSAR. Chemometrics and Intelligent Laboratory Systems, 2002, 64:55 -64.
  • 10Dana Weekes, Gary B Fogel. Evolutionary optimization, backpropagation, and data preparation issues in QSAR modeling of HIV inhibition by HEPT derivatives. Biosystems, 2003, 72 : 149 - 158.

引证文献3

二级引证文献8

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部