Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Anhui Agricultural Sciences》 2008-35
Add to Favorite Get Latest Update

Research on the SVR-KNN Method Applied in the Herbicide QSAR

OU Wei-min et al(College of Vocational Technology & Trade of Guangdong,Guangzhou,Guangdong 510430)  
[Objective]An effective combination forecasting method for QSAR(QSAR) analysis was explored.[Method] The combination forecasting method of SVR and KNN was presented.The optimal selection was based on the mean square error(MSE) and the SVR was optimally screened based on the kernel function.Based on the most optimal kernel function,the selection was done according to SVR descriptor and the descriptor was reserved.The impacting extent of the reservation descriptors on the accuracy of forecasting was explained with "The enforcement law of the last one being out".The quality of sample was reflected based on the different KNN forecast values and a sub-model was built,and finally,the combination forecasting was carried out based on the SVR.The QSAR model of the kinds of herbicide such as sulfonylurea,triazolo and pyrimidine sulfonamide was established with combination forecasting method.[Result] The modeling results showed that the forecasting method based on the combination of SVR and KNN was the most accurate in all of models,with smallest risk in the structure and non-linear,and also,it can effectively overcome the over-fit,and with the advantage such as good generalization ability etc.[Conclusion] The forecasting method based on the combination of SVR and KNN had many advantages,which can be widely applied in study on the QSAR.
【Fund】: 湖南省科学计划一般项目(2008SK3056)
【CateGory Index】: S482.4
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
【Citations】
Chinese Journal Full-text Database 10 Hits
1 Wang Xiao-ye Wang Zheng-ou(Institute of Systems Engineering, Tianjin University, Tianjin 300072, China) (Automation Department, Hebei University of Technology, Tianjin 300130, China);An Improved K-Nearest Neighbor Algorithm[J];Journal of Electronics and Information Technology;2005-03
2 Li Jian, Chen Dezhao*, Wu Xiaohua, Ye Ziqing (Department of Chemical Engineering, Zhejiang University, Hangzhou 310027);Optimized Radial Basis Functions-Cyclic Subspace Regression and Its Application to Quantitative Structure-activity Relationships[J];Chinese Journal of Analytical Chemistry;2005-06
3 YANG Guang-Fu 1*, DING Yu2, YANG Hua-Zheng2, WU Xiao-Jun3 (1. College of Chemistry, Central China Normal University, Wuhan 430079, China; 2. National Key Laboratory of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, China; 3. College of Chemistry and Molecular Science, Wuhan University, Wuhan 430075, China);Synthesis, Fugicidal Activity and Quantitative Structure-activity Relationships of Novel Flavanone Derivatives[J];Chemical Research In Chinese Universities;2004-01
4 Zhou Peng 1,2, Zeng Hui1, Li Bo1, Zhou Yuan 2,3, Li Zhiliang 1,2*(1College of Chemistry and Chemical Engineering, 2Key Laboratory of Biomedical Engineering of Ministry of Education and Chongqing Municipality, 3College of Bioengineering, Chongqing University, Chongqing 400044);Classification and Regression with Support Vector Machine as Applied to QSARs of Peptides[J];Chemistry;2006-05
5 Zhong Guohua Hu Meiying(Laboratory of Insect Toxicology, South China Agricultural University, Guangzhou 510642);QSAR and Its Application and Advance in Pesticide Design[J];Chinese Journal of Pesticide Science;2001-02
6 TIAN Sheng-feng, HUANG Hou-kuan (School of Computer and Information Technology, Northern Jiaotong University, Beijing 100044, China) E-mail: sftian@center.njtu.edu.cn http://www.njtu.edu.cn;A Simplification Algorithm to Support Vector Machines for Regression[J];Journal of Software;2002-06
7 YIN Jia-jian~(1,2),LI Meng-long~(1*),WEN Zhi-ning~(1),PAN Yi~(1),DIAO Yuan-bo~(1)(1.The Faculty of Chemistry,Sichuan University,Chengdu 610064,China;2.College of Life and Science,Sichuan Agriculture University,Sichuan Yaan 625014,China);Evaluation of Predict Performanceof Five Amino Acid Descriptors in Peptide QSAR by Support Vector Regression[J];Journal of Sichuan University(Natural Science Edition);2006-02
8 AI Na,WU Zuo-wei,REN Jiang-hua(School of Mechanical & Electrical Engineering,Beijing Jiaotong University,Beijing 100044);Support vector machine and artificial neural network[J];;2005-05
9 LI Yuan-cheng, LI Bo, FANG Ting-jian(Digital Media Laboratory, School of Computer Science and Engineering, Beihang University, Beijing 100083, China; Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230021, China);Nonlinear Combination Forecasting Method Based on Wavelet Support Vector Machines[J];Information and Control;2004-03
10 DING Jun-jie, DING Xiao-qin *, ZHAO Li-feng, CHEN Ji-sheng (Beijing Institute of Pharmaceutical Chemistry, Beijing 102205, China);New 3D amino acid structure descriptors and its application to the polypeptide QSAR[J];Acta Pharmaceutica Sinica;2005-04
【Co-citations】
Chinese Journal Full-text Database 10 Hits
1 QI Xin-an,ZHU Zu-lin(Anhui Radio&TV University,Hefei 230022,China);Grey Correlation Analysis on the Scale of AHTVU's Enrolment of Distance Learners and Developing Trend[J];Journal of Anhui Radio & TV University;2007-03
2 WEI Xin1,2,WANG Yu-xia2,WANG Shu-min1,DONG Wen-xuan1,2(1.College of Horticulture,Shenyang Agricultural University,Shenyang 110161,China;2.Research Institute for Breeding and Physiology-Ecology of Frigid Region Fruit Tree,Shenyang Agricultural University,Shenyang 110161,China);Study of Peroxidase Isozyme of Ping'ou Hybrid Hazelnut(Corylus L.)[J];Shandong Agricultural Sciences;2008-01
3 LU He-quan,LI Zhen-huai,DONG He-zhong*,LI Wei-jiang,TANG Wei,ZHANG Dong-mei,LUO Zhen(Cotton Research Center,Shandong Academy of Agricultural Sciences/ Shandong Key Lab for Cotton Culture and Physiology,Jinan 250100,China);Interaction Effects of Plant Density with Retention of Vegetative Branch on Yield and Yield Components of Hybrid Cotton[J];Shandong Agricultural Sciences;2009-11
4 YU Hai-tao,YAN Mei,XU Lei,LI An-fei(Agronomy College,Shandong Agricultural University/State Key Laboratory of Crop Biology,Taian 271018,China);Analysis on Combining Ability and Heritability of New Wheat Lines[J];Shandong Agricultural Sciences;2009-12
5 LUO Zhen,LI Wei-jiang,DONG He-zhong,TANG Wei,ZHANG Dong-mei,LU He-quan,LI Zhen-huai(Cotton Research Center,Shandong Academy of Agricultural Sciences/Shandong Key Lab for Cotton Culture and Physiology,Jinan 250100,China);Effects of Density and Plant Pruning on Yield Distribution of Hybrid Bt Cotton[J];Shandong Agricultural Sciences;2009-12
6 SUN Wei,CUI Juan,ZANG Dong-chu,SHI Shu-sen*(College of Agronomy,Jilin Agricultural University,Changchun 130118,China);Effects of Temperature and Soil Water Content on Egg Hatching of Locusta migratoria manilensis(Meyen)[J];Shandong Agricultural Sciences;2010-03
7 ZHAO Hong-liang1,YU Qian-lin1,LU He-quan2,DONG He-zhong2 (1.Technical Guidance Station for Cotton Production of Shandong Province,Jinan 250013;2.Shandong Cotton Research Center,Jinan 250100,China);Optimal Plant Density of Spring Cotton under Monoculture in Shandong Ecological Conditions[J];Shandong Agricultural Sciences;2010-12
8 LIU Shu-yun,LI Jing-ling,ZHANG Xiu-lan,ZHU Jian-hua(Research Center of Science and Technology Information Engineering Technology, Shandong Academy of Agricultural Sciences,Jinan 250100,China);Correlation and Path Analysis of Winter Wheat Yield with Meteorological Factors in Southwest Shandong Province[J];Shandong Agricultural Sciences;2011-03
9 WANG Guo-sheng,HOU Wei,CHEN Ju-lin,LI Ping-hai,YAN Bao-luo,LIU Shan-xia(Taian Academy of Agricultural Sciences,Taian 271000,China);Effects of Different Sowing Dates on Incidence Rate of Rough Dwarf Disease and Yield Traits of Maize[J];Shandong Agricultural Sciences;2011-04
10 LU He-quan1,ZHAO Hong-liang2,YU Qian-lin2,DONG He-zhong1(1.Shandong Cotton Research Center,Jinan 250100,China; 2.Shandong Technical Guidance Station for Cotton Production,Jinan 250013,China);Optimum Plant Density of Hybrid Cotton Intercropped with Wheat in Southwest of Shandong Province[J];Shandong Agricultural Sciences;2011-09
China Proceedings of conference Full-text Database 10 Hits
1 Zhou Qifeng,Lin Chengde,Luo Linkai,Peng Hong Automation Department of Xiamen University,Xiamen 361005,P.R.China;An Imbalanced Training Data SVM Classification Problem Based on Riemannian Metric[A];[C];2007
2 Zhao Hui1,Wen Xuefei2,He Xiaohui1,Wang Zhengfeng1,An Yu2 (1 Rural Science and Technology Centre of Ningxia,Yinchuan 750001; 2 Desertification Control Institute,Ningxia Academy of Agriculture and Forestry Sciences,Yinchuan 750002);Effect of Rural Information on Gross Agricultural output in main Yellow River Irrigation Area of Ningxia[A];[C];2011
3 ZHAO Hui etal(Rural Science and Technology Center of Ningxia,Yinchuan,Ningxia 750001);Analysis on the Development of Ningxia Rural In formation Based on Factor Analysis[A];[C];2011
4 GAO Xi~1,CAO Feng-Qin~2,YANG Ji-Xiong~1,LI Qiang~1,WU Guo-Xing~(1,*) (1.College of Plant Protection,Yunnan Agricultural University,KunmingYunnan 650201,China; 2.College of Environment and Plant Protection,University of Hainan,Danzhou Hainan 571737,China);Structure and Development of Male Internal Reproductive Organs in Boettcherisca peregrine(Diptera:Sarcophagidae)[A];[C];2011
5 LIU Kefeng,WANG Hongli,ZOU Rongsong,SHI Aiping,DAI Zhiyong (Beijing University of agriculture,Beijing,102206);Study on the Best Production Condition of Pig Manure Compost[A];[C];2008
6 HUANG Qi-ting~1,ZHOU Lian-qing~(1*),SHI Zhou~1,LI Zhen-yu~2,GU Qun~3 1.College of Environmental and Resource Sciences,Zhejiang University,Hangzhou 310029,China 2.Zhejiang Environmental Monitoring Center,Hangzhou 310012,China 3.Zeal Quest Scientific Technology Co.,Ltd.Shanghai 200052,China;Analysis of lead in soil with partial least square regression(PLS)method by the field portable X-ray fluorescence(FPXRF)analyzer[A];[C];2009
7 HE Wen-zhu LIU Yong-hong (Crop Research Institute,Sichuan Academy of Agriculture Science,Chengdu 610066,China);Screening and genetic research for drought tolerance key index in silage maize[A];[C];2007
8 ZHONG Ping-an LIU Kai KUANG Hui-yun FENG Li HUANG Ying-jin~* (Jiangxi Agricultural University,Nanchang 330045);Development of endosperm tissue in heat-tolerant rice[A];[C];2007
9 ZHANG Guo-liang~(1,2) CHEN Wenjun~1 DAI Qi-gen~1 XU Ke~1 HUO Zhong-yang~1 ZHANG Hong-cheng~1 (1.Key Lab for Crop Genetics and Physiology of Jiangsu Province,Yangzhou University,Yangzhou 225009,China;2.College of Life Science and Chemistry Engineering,Huaiyin Institute of Technology,Huai'an 223001,China);Screening of Tolerant Rice Genotypes to 1,2,4-Trichlorobenzene Stress[A];[C];2007
10 ZHANG Xiangbo, MEI Guojian, XU Zongchang (Department of Technical Support Engineering, Academy of Armored Force Engineerirng, Beijing, China, 100072);Forecasting Model of Equipment Readiness Based on SVM[A];[C];2008
【Co-references】
Chinese Journal Full-text Database 10 Hits
1 Lin Changzhi(AnHui Fengle Agrochemicals Corpration,Hefei 230031);The Synthesis of Methyl - mercaptoacetate[J];Anhui Chemical Industry;2004-03
2 YU SHan-xin WEN Rui-ming LEI Cun-xi (Department of Chemistry,Yiyang Teacher’s College. Yiyang Hunan,413049);RESEARCH PROGRESS IN THE SYNTHESIS OF TRIBUTYL CITRATE[J];Journal of Changde Teachers University;2001-04
3 Liu Tianbao,Peng Yanfen,Chen Dayong(1 Department of Chemistry and Food Science,Chizhou College,Chizhou,Anhui,247000);Relationships between Quantitative Structures and Activities of Organic Gas[J];Journal of Chizhou College;2008-03
4 WANG Wei(Department of Chemistry,Qinghai college for Nationalities,Xining 810007,China);A New Topological Index and Saturated Alkanes QSAR/QSPR[J];Journal of Guangxi University for Nationalities(Natural Science Edition);2008-02
5 CHEN Dan-yun,ZHANG Fu-lian,ZHANG Xi-lan (Chemistry And Chemical Engineering College of Henan University,Kaifeng 475001,China);Research Progress in The Synthesis of Isoamyl Butyrate[J];Heibei Chemical Engineering and Industry;2002-03
6 MAO Liang, GAO Shixiang State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing 210093;Reactions of estrogenic phenolic chemicals mediated by horseradish peroxidase:quantitative structure-activity relationships[J];Acta Scientiae Circumstantiae;2008-12
7 建伟;相转移催化合成乙酸异戊酯[J];CHEMISTRY;1999-06
8 ZHAO Liang GAO JinSen and XU ChunMing (State Key Laboratory of Heavy Oil Processing,University of Petroleum,Beijing,102249,China);Molecular calculation theory method and it's application in chemical engineering calculation field[J];Computers and Applied Chemistry;2004-05
9 Zhu Zhifei~1 Xu Zumin~1 Ning Tingting~1 Wang Zhengwu~1 Zhang Gexin~(1*) Ma Yanhe~2 (1.School of Chemical and Material Engineering,Southern Yangtze University,Wuxi,214122,Jiangsu,Chine,;2.Institute of Microbiology,Chinese Academy of Sciences,Beijing,100080,China);The molecular dynamics simulation of the interaction between the tenebrio moilitor alpha-amylase and its inhibitor[J];Computers and Applied Chemistry;2007-08
10 Wang Xianyang (Department of Chemistry, Anhui Medical University, Hefei 230032);Synthesis of Butyl p-hydroxybenzoate Catalyzed by Solid Superacid S_2O_8~(2-)/TiO_2-ZrO_2[J];Advances in Fine Fetrochemicals;2004-05
【Secondary Citations】
Chinese Journal Full-text Database 10 Hits
1 Hou Jingde , Zhou Ying (The Applied Chemistry Institute, Zhejiang University, Hangzhou 310027);Study on Quantitative Structure Activity Relationship of Fluorine-containing Amide Herbicides by Reversed-phase High-performance Liquid Chromatography[J];Chinese Journal of Analytical Chemistry;1994-08
2 SUN Wei Guo, CHEN De Zhao *, CHEN Ya Qiu, HU Shang Xu (Department of Chemistry Engineering of Zhejiang University, Hangzhou, 310027);Model Building with Neural Networks Based on Genetic Algorithms for Structure activity Relationships of Pesticide[J];CHEMICAL RESEARCH IN CHINESE UNIVERSITIES;1998-06
3 ZHUANG Ling, CHEN De-zhao, ZHAO Wei-xiang, ZHANG Hong, HU Shang-xu (Department of Chemical and Biochemical Engineering, Zhejiang University, Hangzhou 310027, China);The Radial Basis Functions-Cyclic Subspace Regression Approach and its Application to Cracker Modeling[J];Journal of Chemical Engineering of Chinese Universities;2002-01
4 SONG Xiao-feng1, CHEN De-zhao1, HU Shang-xu1, XIAO Jia-zhi2, LIU Fu-zhou2 (1. Department of Chemical and Biochemical Engineering,Zhejiang University,Hangzhou 310027,China; 2. Department of Chemical Engineering,University of Petroleum,Dongying 257061,China);Eugenic Evolution Strategy Genetic Algorithms for Estimating Parameters of Heavy Oil Thermal Cracking Model[J];Journal of Chemical Engineering of Chinese Universities;2003-04
5 YIN Jia-jian JIANG Wei DAI Song-lin LI Meng-long (College of Chemistry, Sichuan University, Chengdu, 610064, China; Dongguan Environmental mom'toring station, Dongguan, 523011, China);APPLICATION OF SUPPORT VECTOR REGRESSION TO THE PREDICTION OF pH VALUE IN PRECIPITATION[J];Environmental Chemistry;2006-02
6 Ding Junjie Ding Xiaoqin* Zhao Lifeng Chen Jisheng(Beijing Institute of Pharmaceutial Chemistry, Beijing 102205, China);The Polypeptide QSAR and Computer-Aided Molecular Design[J];Progress In Chemistry;2005-01
7 YANG Guang-Fu LIU Hua-Yin YANG Hua-Zheng YANG Xiu- Feng (National Key Laboratory of Elemento - Organic Chemistry, Nankai University, Institute of Elemento- Organic Chemistry, Tianjin, 300071);Design, Sytheses and Biological Activity of Novel Herbicides Targeted ALS Ⅳ. Studies on The Crystal Structure, Quantum Chemistry and Structure - Activity Relationship of 1,2,4- Triazolo [ 1,5 - a ]pyrimidine - 2 - sulfonamides Compounds[J];Acta Chimica Sinica;1998-08
8 YUAN Qiong YUAN Shen - Gang CHAI Ge - Qing ZHANG Shi - Xiang ZHENG Chong - Zhi(laboratory of Computer Chemistry, The Chinese Academy of Science, Shanghai ,200032) (Shanghai Institute of Organic Chemistry, The Chinese Academy of Science, Shanghai ,200032);SAR/QSAR Study of Fluorine - Containing Pesticides I . Analysis by Classical QSAR Methods[J];Acta Chimica Sinica;1999-01
9 YUAN Qiong YUAN Shen - Gang CHAI Ge - Qing ZHANG Shi - Xiang ZHENG Chong - Zhi(Laboratory of Computer Chemistry, The Chinese Academy of Sciences, Shanghai, 200032) (Shanghai Institute of Organic Chemistry, The Chinese Academy of Sciences, Shanghai, 200032);SAR/QSAR Study of Fluorine Containing Pesticides II Analysis by 3D - SAR/QSAR Methods[J];Acta Chimica Sinica;1999-01
10 YANG Guang-Fu LIU Hua-Yin YANG Xiu-Feng YANG Hua-Zheng(Institute of Elemento - Organic Chemistry, National Key laboratory of Elemento - Organic Chemistry, Nankai University, Tianjin, 300071);Design, Syntheses and Biological Activity of Novel Herbicides Targeting ALS VIII . Studies on Structure - Activity Relationships of Fused Heterocyclic Sulfonamide Herbicides Combined Hansch Analyses and CoMFA Method[J];Acta Chimica Sinica;1999-07
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved