Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《COMPUTERS AND APPLIED CHEMISTRY》 1995-03
Add to Favorite Get Latest Update

IMPROVED ARTIFICIAL NEURAL NETWORK ALGORITHM(Ⅰ)──Timization of Net Structrue and Covergence Criterion

Zhang Xiaochen; Zhou Jiaju (Laboratory of Computer Chemistry, Institute of Chemical MetallurgyChinese Academy of Sciences Beijing 100080)  
Artificial Neural Network ( ANN ) is a powerful tool to construct model for processing nonlinear system. Especially in recent years the application of ANN in Quantitative Structiire-Activity Relationships (QSAR) has obtained good results, in which the chemists and pharmaceutists are interested.However it is notable that the overfitting phenomena could be caused in analysing and forcasting. This is a serious problem, in order to solve it, a convergence criterion and a method to optimize the net structure are provided. This approach can ensure the model have a reliable predict ability.
【Fund】: 国家基金
【CateGory Index】: TP183
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【References】
Chinese Journal Full-text Database 10 Hits
1 CHEN An-jin 1,2 , SHI Jie 1,2 (1. Ocean University of China, Qingdao 266071, China; 2. Qingdao Municipal Hospital, Qingdao 266011, China);The Development of Research on Calculation Methods Used in the Model-Creation of Computer-Aided Drug Design[J];中国海洋大学学报(自然科学版);2005-03
2 LI Xiao, ZHANG Wei-Ying, YUAN Hui-Gen (1. College of Chemistry and Chemical Engineering, Fuzhou University, Fuzhou, 350002, Fujian, China; 2. Department of Chemical Engineering, Zhejiang University, Hangzhou, 310027, Zhejiang, China; 3. The Key Laboratory of Science and Technology of Controllable Chemical Reactions BUCT, Ministry of Education, Beijing, 100029, China);Kinetic modeling of acrylamide polymerization in percolating inverse microemul-sions via BP artificial neural networks[J];计算机与应用化学;2003-04
3 Hu Yongyou Gu Yong Su Hongye Wang Zhaohui Chu Jian (National Key Lab. of Industrial Control Technology, Institute of Advanced Process Control, Zhejiang Univers. Yuquan Campus, Hangzhou 310027,China);The Research of 4-CBA Soft-sensor Model Based on BPANN[J];仪器仪表学报;2003-03
4 GUO Qing zhou,LI Da dong,ZU De guang,SHI Ya hua (Research Institute of Petroleum Processing,Beijing 100083,China);AN ESTIMATION MODEL OF ANN FOR PREDICTING AROMATICS CONTENT IN HYDROTREATED LUBE BASE OIL[J];石油学报(石油加工);2001-03
5 GENG Xin, LI Jinghui, GAO Lirang, CHEN Xingpan (Department of Applied Chemistry, Anshan Institute of Iron & Steel Technology, Anshan 114002, China) CHEN Guang (Tie xi Hospital Anshan);SIMULTANEOUS SPECTROPHOTOMETRIC DETERMINATION OF SULFAMETHOXAZOLE TABLETS BY ARTIFICIAL NEURAL NETWORKS[J];理化检验(化学分册);2001-03
6 Wan Yinkun, Zu Deguang, Yang Wenzhong (Research Institute of Petroleum Processing, Beijing 100083);PROCESS SIMULATION FOR SOLVENT EXTRACTION OF LUBE OIL WITH NEURAL NETWORK[J];石油炼制与化工;2000-07
7 ZHOU Yi feng,SHI Yu lin,HU Zhi hai (Research Institute of Petroleum Processing, Beijing 100083, China);THE MATHEMATIC SIMULATION OF GAS OIL HYDRODESULFURIZATION USING NEURAL NETWORK ALOGRITHM[J];石油学报(石油加工);2000-01
8 ZHOU Jia\|Ju\ XIE Gui\|Rong\ YAN Xin\|Jian\ HE Xian\|Feng\ TANG Wu\|Cheng (Laboratory of Computer Chemistry,Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080);PROGRESS OF MOLECULAR MODELING IN LCC(1986-1999)[J];计算机与应用化学;1999-06
9 ZHANG Jun ZHANG Hui Xia (The Second Affiliated Hospital of Henan Medical University,Zhengzhou 450003);APPLICATION OF RADIAL BASIS FUNCTION ARTIFICIAL NEURAL NETWORKS (RBF ANN) IN DETERMINATION OF CHLORPROMAZINE TABLETS[J];计算机与应用化学;1999-06
10 YU Jiangping; LUO Baolin(Iust. Chem. Metall., Chinese Academy of Sciences, Beijing 100080, China);OFF-LINE DIAGNOSIS OF FAULTS OF A FLUIDIZED-BED REACTOR BASED ON MACRO-KINETIC MODEL AND ARTIFICIAL NEURAL NETWORKS[J];过程工程学报;1999-03
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 YANG Lei, WANG Peng, ZHOU Derui, CHEN Chuanpin ( Department of Applied Chemistry, Harbin Institute of Technology, Harbin 150001, China; Department of Environmental Science and Engineering, Harbin Institute of Technology, Harbin 150001, China);QSAR analysis and design of herbicide from quinclorac and its derivatives[J];清华大学学报(自然科学版);2004-03
2 Hou Tingjun\ Xu Xiaojie (College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, China;Applications of Genetic Algorithms to Computer-Aided Drug Design[J];化学进展;2004-01
3 Li Yongwu Ye Zhiqian Lu Jinfang (Clinical Engineering Institute , Zhejiang University, Hangzhou 3100031);Chemical QSAR Recognition by Using Fuzzy Min-Max Neural-Network[J];生物医学工程学杂志;2002-03
4 GAO Shou-guo, QU Ling-bo, XIANG Bing-ren ( Center for Instrumental Analysis , China Pharmaceutical University, Nanjing 210009, China);Application of Fuzzy Neural Networks in QSAR[J];计算机与应用化学;2002-04
5 Yan Xuefeng, Chen Dezhao *, Hu Shangxu (Department of Chemical Engineering, Zhejiang University, Hangzhou 310027);To Model the Quantitative Structure-Activity Relationship of Drug with Adapting Partial Least Square Regression[J];分析化学;2002-05
6 LIU Ping, CHENG Yi Yu * [WT5”BX](Dept. of Chem. Eng. & Bioeng., Zhejiang University, Hangzhou 310027, China) [WT5HZ];Studies on Quantitative Structure-activity Relationships of Benzodiazepines Using Fuzzy Neural Networks[J];高等学校化学学报;2000-10
7 ZHOU Yi feng,SHI Yu lin,HU Zhi hai (Research Institute of Petroleum Processing, Beijing 100083, China);THE MATHEMATIC SIMULATION OF GAS OIL HYDRODESULFURIZATION USING NEURAL NETWORK ALOGRITHM[J];石油学报(石油加工);2000-01
8 Gao Zhiming;Li Jinghui;Gao Lirang;Xiu Hongyan;Tan Wei (Department of Applied Chemistry, Anshan Institute of Iron & Steel Technology, Anshan 114002);Simultaneous Determination of Tungsten and Molybdenum by Artificial Neural Networks Spectrophotometry[J];冶金分析;1999-06
9 SHEN Min PEI Jian\|Feng ZHOU Jia\|Ju (Laboratory of Computer Chemistry, Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing \ 100080);The Research on ACEI 3D Receptor Model by Using PARM[J];计算机与应用化学;1999-05
10 He Min SHEN Min\ ZHOU Jia\|Ju (Laboratory of Computer Chemistry, Institute of Chemical Metallurgy, Chinese Academy of Sciences, Beijing 100080);Design and Development of Chinese Drug Database[J];计算机与应用化学;1999-05
【Secondary References】
Chinese Journal Full-text Database 10 Hits
1 LIU Ruilan;LIU Shuyun;RONG Zhou;JIANG Bing;PANG Zongqiang;College of Automation, Nanjing University of Post & Telecomomunication;;Modeling soft sensor of 4-CBA concentration by AdaBoost algorithm with dual threshold technique[J];化工学报;2017-05
2 Wang Huahua;Zhu Yu;Sun Ying;Zhang Ting;Zhang Yan;College of Life and Environmental Science, Minzu University of China;;Structure based pharmacophore modelling of telomeric G-quadruplex for anti-tumor[J];计算机与应用化学;2016-03
3 WANG Xin-ling;SUN De-mei;YANG Jing;Henan University of Traditional Chinese Medicine;;Research of Drug Detection Based on the Quantitative Structure-activity Relationship[J];当代化工;2016-01
4 Zhang Mengyi;Chen Ying;Chen Jianhua;Zhang Yingzi;Fan Rongdan;Zheng Heng;Zhang Jian;Hu Ronghui;Xiao Yi;Wuhan General Hospital of Guangzhou Command;Hubei University of Traditional Chinese Medicine;Wuhan University of Science and Technology;Tongji Hospital of Huazhong University of Science and Technology;;Effect of Polypeptide P161 Combined with Cisplation on Proliferation and Apoptosis of Breast Cancer Cell Line MA-782[J];中国药师;2013-12
5 Zhang Kongyuan,Xiao Qiang,Liu Bin,Liu Chenguang(State Key Laboratory of Heavy Oil Processing,China University of Petroleum(East China),Qingdao Shandong 266555,China);Application of Artifical Neural Networks to Hydrodesulfurization of Gasoline and Diesel Mixtures[J];石油化工;2013-08
6 Zhang Kongyuan,Xiao Qiang,Liu Chenguang(State Key Laboratory of Heavy Oil Processing,China University of Petroleum,Qingdao,Shandong266555);ARTIFICAL NEURAL NETWORK MODELING APPLIED TO HYDRODENITROGENATION OF GASOLINE AND DIESEL[J];石油炼制与化工;2013-03
7 HE Feng,ZHU Hua-xu,GUO Li-wei Key Laboratory of Separation Engineering for Chinese Traditional Medicine Compound,Nanjing University of Chinese Medicine,Nanjing 210029,China;Quantitative structure pharmacokinetic relationship and its application to pharmacokinetics of active components in Chinese materia medica[J];中草药;2011-10
8 Wang Zhilei Gu Heping* Ren Xiaoqian* Xu Yanhua(College of environment,Nanjing University of Technology,Jiangsu Nanjing 21009;* College of chemistry and chemical engineering,Nanjing University of Technology,Jiangsu Nanjing 21009);An Application to BP Neural Network and Membrane Separation Technology in Wastewater Treatment[J];化工时刊;2010-09
9 LONG Chang-yu1,YANG Sheng-ke2,LI Yuan-gang2,ZHANG Jin-ping2(1.Jiangxi Provincial Product Quality Supervision Testing College,Nanchang 330029,China;2.School of Environmental Science and Engineering,Chang'an University,Xi'an 710054,China);Application of BP neural network and UV-Visible spectrophotometry to predict mixed components of Sudan[J];应用化工;2009-12
10 Xu Yan,Gu Jue-fen,Zheng Heng(Institute of Life Science and Technology,China Pharmaceutical Univercity,Nanjing 210009,China);Application of Computer-Aided Drug Design in the Development of Virus Enzyme Inhibitors[J];国外医药(抗生素分册);2009-06
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved