STRUCTURE-ACTIVITY

作品数：72被引量：82H指数：5
导出分析报告
相关作者：金春梅肖娟郭淑晶周鑫王永瑞更多>>
相关机构：延边大学北京大学广东医学院南京药物研究所更多>>
相关期刊：更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划天津市自然科学基金国家科技支撑计划更多>>
-
在结果中检索

检索结果分析

结果分析中...
选择条件：
  • 期刊=Science China Chemistryx
共 条 记 录，以下是1-10
全选清除导出
参考文献引证文献引用追踪
视图：
排序：
Hydrogen production via catalytic decomposition of NH3 using promoted MgO-supported ruthenium catalysts被引量：2
《Science China Chemistry》2019年第12期1625-1633,共9页Xiu-Cui Hu Wei-Wei Wang Rui Si Chao Ma Chun-Jiang Jia 
supported by the Excellent Young Scientists Fund from National Natural Science Foundation of China (21622106);other projects from the National Natural Science Foundation of China (21773288, 21805167, 11574281, 21771117);the Outstanding Scholar Fund (JQ201703);the Doctoral Fund (ZR2018BB010);the Science Foundation of Shandong Province of China;the Taishan Scholar Project of Shandong Province of China;the National Key Basic Research Program of China (2017YFA0403402);the Future Program for Young Scholar of Shandong University
Catalytic decomposition of NH3 to high purity hydrogen offers a promising strategy for fuel cells, but presents challenges for high hydrogen yields at comparatively low temperatures due to the lack of efficient cataly...
关键词：Ru catalyst MgO support ammonia decomposition hydrogen production structure-activity relation 
Theoretical insight into methanol steam reforming on indium oxide with different coordination environments被引量：2
《Science China Chemistry》2018年第3期336-343,共8页Jinglin Wang Haifeng Wang P.Hu 
supported by the National Natural Science Foundation of China(21333003,21622305);Young Elite Scientist Sponsorship Program by China Association for Science and Technology(YESS20150131);"Shu Guang"project supported by Shanghai Municipal Education Commission and Shanghai Education Development Foundation(13SG30);the Fundamental Research Funds for the Central Universities(WJ616007)
Indium oxide(In_2O_3) has demonstrated to be an effective non-noble metal catalyst for methanol steam reforming reaction(MSR).However, the reaction mechanism of MSR and crucial structure-activity relations determining...
关键词：steam reforming reaction DFT In2O3 （211） reaction mechanism DEHYDROGENATION structure-activity relation 
Holographic quantitative structure-activity relationship for prediction of the toxicity of polybrominated diphenyl ether congeners被引量：1
《Science China Chemistry》2009年第12期2342-2350,共9页XuShu Yang  XiaoDong Wang  YiMing Zhang  Si Luo  Rong Li  Cheng Sun LianSheng Wang 
Supported by the Key Project of the National Natural Science Foundation of China (Grant No. 20737001);the National Natural Science Foundation Key Project of China (Grant No. 20737001);the Science and Technology Development Founda-tion Project of Nanjing Medical University (Grant No. 06NMUM021)
Polybrominated diphenyl ether congeners (PBDEs) might activate the AhR (aromatic hydrocarbon receptor) signal transduction, and thus might have an adverse effect on the health of humans and wildlife. Because of the li...
关键词：polybrominated DIPHENYL ether CONGENERS (PBDEs) molecular hologram quantitative STRUCTURE-ACTIVITY relationship PREDICTION of TOXICITY 
Modeling the depuration rates of polychlorinated biphenyls in two mussel species with theoretical molecular descriptors
《Science China Chemistry》2009年第8期1281-1286,共6页XU MingZhu LIU XinHui WANG Liang WU Dan SUN Tao YANG ZhiFeng CUI BaoShan 
Supported by the Major State Basic Research Development Program (973) of China (Grant No. 2006403303);the National Natural Science Foundation of China (Grant No. 20647003);the Program for New Century Excellent Talents in University
Using theoretical molecular descriptors as well as partial least squares (PLS) regression, two quantitative structure-activity relationship (QSAR) models were developed for depuration rate constants (k d) of polychlor...
关键词：quantitative STRUCTURE-ACTIVITY relationship(QSAR) DEPURATION POLYCHLORINATED biphenyls(PCBs) partial least squares(PLS) 
QSAR study on the non-monotonic dose-response curve of PCBs in chicken embryo hepatocyte bioassay
《Science China Chemistry》2009年第5期662-669,共8页YunSong Mu  AiQian Zhang  ChangAn Gao  SuFen Peng LianSheng Wang 
Supported by the National Natural Science Foundation of China(Grant Nos. 20777035 & 20737001) ;863 Advanced Research Project (Grant Nos. 2007AA06Z416, 2006AA06Z424 & 2007AA06A405)
Endocrine disrupting chemicals (EDCs) in the natural environment exhibit a unique non-monotonic dose-response curve and it is impossible to select one simple index to characterize the bilogogical activity of these com...
关键词：POLYCHLORINATED BIPHENYLS CONGENERS (PCBs) non-monotonic DOSE-RESPONSE curve quantitative STRUCTURE-ACTIVITY relationship (QSAR) 
QSAR study on estrogenic activity of structurally diverse compounds using generalized regression neural network
《Science China Chemistry》2008年第7期677-683,共7页JI Li WANG XiaoDong LUO Si QIN Liang YANG XvShu LIU ShuShen WANG LianSheng 
Supported by the National Natural Science Foundation of China (Grant Nos. 20507008 and 20737001);the Natural Science Foundation of Jiangsu Province, China (Grant No. BK200418);the National Basic Research Program of China (973 Program)(Grant No. 2003CB415002)
Computer-based quantitative structure-activity relationship (QSAR) model has been becoming a pow- erful tool in understanding the structural requirements for chemicals to bind the estrogen receptor (ER), designing dru...
关键词：quantitative STRUCTURE-ACTIVITY relationship ESTROGEN receptor ENDOCRINE disruptors generalized regression neural network 
Integration of genetic virtual screening patterns and latent multivariate modeling techniques for QSAR optimization based on combinations and/or interactions between peptides and proteins
《Science China Chemistry》2008年第5期487-496,共10页LI ZhiLiang TIAN FeiFei WU ShiRong YANG ShanBin YANG ShengXi ZHOU Yuan ZHANG QiaoXia QIN RenHui MEI Hu CHEN Gang LI GenRong 
the National Chunhui Project Foundation (Grant No. 99-4-4+37);the Fok-Yingtung Educational Foundation (Grant No. 98-7-6);the State New Drug Project (Grant No. 1996ND1035A01);the Chongqing Municipality Applied Funda-mental Science Fund (Grant No. 01-3-6);Juche Academic Innovation Foundation for Science and Technology (Grant No. 03ZY12XT06);Chongqing University Subject Constructive Fund (Grant No. 04-10-10);State Key Laboratory for Chemobiosensors and Chemometrics under MOST Fund (Grant No. 2005012);National High Technology Research and Development (863) Program of China (Grant No. 2006AA02Z312)
Both the concept and the model of snug quantitative structure-activity relationship (QSAR) were proposed and developed for molecular design through constructing QSAR based on some known mode of receptor/ligand interac...
关键词：GENETIC virtual screening of peptide-protein combination (GVSPPC) quantitative STRUCTURE-ACTIVITY relationship (QSAR) GENETIC algorithm (GA) partial least square (PLS) principal component analysis (PCA) 
3D-QSAR studies on glycogen phosphorylase inhibitors by flexible comparative molecular field analysis
《Science China Chemistry》2007年第4期568-573,共6页ZHOU Peng1 & LI ZhiLiang1,2 1 College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044, China 2 State Key Laboratory of Chemo/Biosensing and Chemometrics, Changsha 410082, China 
Supported by National High Technology (863) Program (Grant No. 2006AA02Z312);the State Key Laboratory of Chemo/Biosensing and Chemometrics Foundation (Grant No. 0501201);Chongqing University Innovation Fund (Grant No. 030506)
Canceling grids accommodating probes in comparative molecular field analysis (CoMFA), the idea of flexibleness is introduced into the CoMFA, and in combination with swarm intelligent algorithm which attempts to optimi...
关键词：FLEXIBLE comparative molecular field analysis (FCoMFA) three-dimensional quantitative STRUCTURE-ACTIVITY relationship (3D-QSAR) particle SWARM optimization algorithm (PSO) GLYCOGEN PHOSPHORYLASE inhibitor probe distribution pattern 
Design, synthesis and bioactivity of novel ALS enzyme inhibitors (II)——Molecular mechanics, quantum chemistry and structure-activity relationship studies on the herbicidal heterocyclic sulfonamide被引量：1
《Science China Chemistry》1996年第1期78-85,共8页陆荣健 杨华铮 尚贞锋 汪惟为 潘荫明 赵学庄 
Project supported by the National Natural Science Foundation of China
<正> In view of quantum pharmacology, the structure-activity relationships of different kinds of fused heterocydic sulfonamides with the same mode of action were first investigated using molecular mechanics, quantum c...
关键词：fused HETEROCYCLIC SULFONAMIDE ALS enzyme inhibitor STRUCTURE-ACTIVITY relationship quantum pharmacology sulfonylurea. 
Artificial Neural Networks Applied to the Quantitative Structure-Activity Relationship Study of Para-substituted Phenols被引量：3
《Science China Chemistry》1993年第12期1443-1450,共8页宋新华 陈茁 俞汝勤 
Project supported by the National Natural Science Foundation of China.
The artificial neural network (ANN) model with back-propagation of error is used to study the quantitative structure-activity relationship of para-substituted phenol derivatives between the biological activity and the...
关键词：artifieial neural network QUANTITATIVE STRUCTURE-ACTIVITY relationship para-substituted phenols. 
全选清除导出
共1页<1>
检索报告 对象比较 聚类工具 使用帮助 返回顶部