云南高校图书馆联盟文献共享服务平台- QSARS

QSARS: 作品数：16被引量：61H指数：5; 导出分析报告; 相关作者：景体淞徐镜波杨霓云刘亚秀刘征涛更多>>; 相关机构：东北师范大学南京大学华北科技学院中国环境科学研究院更多>>; 相关期刊：《Journal of Biophysical Chemistry》《Acta Oceanologica Sinica》《科技资讯》《Science China Chemistry》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环境保护公益性行业科研专项国家教育部博士点基金更多>>

Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individual parent-and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China被引量：2: 《Acta Oceanologica Sinica》2020年第12期95-105,共11页Ying Wang Xing Liu Yi Cong Jin Fei Juying Wang Dian Zhang Liang Liu Jingli Mu Ziwei Yao; The National Key Research and Development Program of China under contract No.2016YFC1402305;the Postdoctoral Research Foundation of China under contract No.2016M601148;the Scientific Research Special Fund of Marine Public Welfare Industry under contract No.201305002; Parent and alkylated polycyclic aromatic hydrocarbons(alkyl-PAHs),which are a class of important toxic components of crude oil especially in the marine environment,exhibit adverse effects on aquatic life and potential...; 关键词：alkyl-PAHs QSARS PNECs ecological risks Dalian Bay

Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations: 《Journal of Biophysical Chemistry》2012年第1期58-71,共14页Omar Deeb Sherin Alfalah Matheus P. Freitas Elaine F. F. da Cunha Teodorico C. Ramalho; Two series of farnesyltransferase (FTase) inhibitors were grouped and their antimalarial activi-ties modeled by means of multivariate image analysis applied to quantitative structure-activity relationship (MIA-QSAR). ...; 关键词：ADMET Docking FARNESYLTRANSFERASE Inhibitors Malaria Multivariate Image Analysis-QSAR

国外新化学物质管理中的健康效应数据需求分析被引量：3: 《环境科学研究》2009年第7期810-816,共7页余若祯方征王宏杨霓云周俊丽刘征涛; 环保公益性行业科研专项(2007HBGY26); 概要介绍了欧盟、美国、日本、加拿大和澳大利亚等国家和地区的新化学物质管理的相关法规、行政机构设置和审查制度流程,并详细阐述了在化学物质申报制度中对健康效应的数据需求及其测试方法.欧盟、加拿大和澳大利亚以眼睛/皮肤刺激、...; 关键词：新化学物质健康效应数据需求 QSARS

多氯联苯鸡胚肝细胞生物活性非单调剂量-响应关系的QSARs研究被引量：1: 《中国科学（B辑）》2008年第12期1105-1112,共8页穆云松张爱茜高常安彭素芬王连生; 国家自然科学基金(批准号:20777035,20737001);国家高技术研究发展计划(编号:2007AA06Z416,2006AA06Z424,2007AA06A405)资助项目; 毒理学研究发现,环境内分泌干扰物(EDCs)在低于无可见效应浓度(NOAEL)时可诱发更强的生物学效应,导致剂量效应曲线背离了经典毒理学理论而呈现U型或倒U型.在此种情况下,毒理研究中普遍采用的半数效应质量/浓度等活性指标不再唯一,给定...; 关键词：多氯联苯非单调剂量-响应关系定量结构-活性相关

Prediction of Toxicity of Phenols and Anilines to Algae by Quantitative Structure-activity Relationship被引量：3: 《Biomedical and Environmental Sciences》2008年第3期193-196,共4页GUANG-HUA LU CHAO WANG XIAO-LING GUO; This work was supported by the Program for New Century Excellent Talents in University (No. 05-0481);National "973" Great Foundation Research Items of China (No. 2002CB412303); Objective To measure the toxicity of phenol, aniline, and their derivatives to algae and to assess, model, and predict the toxicity using quantitative structure-activity relationship （QSAR） method. Methods Oxygen pr...; 关键词：TOXICITY QSARS Frontier orbital energy gap PREDICTION

Quantitative structure-activity relationships for joint toxicity of substituted phenols and anilines to Scenedesmus obliquus被引量：4: 《Journal of Environmental Sciences》2008年第1期115-119,共5页WANG Chao LU Guanghua TANG Zhuyun GUO Xiaoling; There are often many chemicals coexisting in aquatic ecosystems, and few information on the joint toxicity of a mixture of organic pollutants is available at present. The 48-h toxicity of substituted phenols and anili...; 关键词：joint toxicity QSARS frontier orbital energy gap 2 4-DICHLOROPHENOL

Predicting bioconcentration factor values of organic pollutants based on medv descriptors derived QSARs被引量：7: 《Science China Chemistry》2007年第5期587-592,共6页CUI ShiHai1,2, YANG Jing1, LIU ShuShen2,3 & WANG LianSheng2 1 College of Chemistry and Environment, Nanjing Normal University, Nanjing 210097, China 2 State Key Laboratory of Pollution Control and Resources Reuse, School of the Environment, Nanjing University, Nanjing 210093, China 3 Key Laboratory of Yangtze Aquatic Environment, Ministry of Education, College of Environmental Science and Engineering, Tongji University, Shanghai 200092, China; Supported by the Natural Science Foundation of the Education Commission of Jiangsu Province (Grant No. 07KJB610061);the National Natural Science Founda-tion of China (Grant No. 20577023);the "973" Program (Grant No. 2003CB415002);the "863" Program (Grant No. 2001AA640601-4); The molecular electronegativity-distance vector (MEDV) is employed todescribe the chemical structure of organic pollutants.Quantitative linear relationships between themolecular descriptors and BCF values are develope...; 关键词：POPs BCF MEDV QSAR

人工神经网络在肽的定量构效关系研究中的应用被引量：3: 《科技资讯》2006年第28期12-13,共2页刘亚秀; 本文作者用人工神经网络模型和“相互作用”法研究了几种肽分子的定量构效关系(QSARs)。“相互作用”法是一种新的表征肽分子结构的方法,它认为:⑴在肽分子链中,任何两个氨基酸分子间都存在相互作用;⑵氨基酸分子间存在的相互作用值不...; 关键词：定量构效关系(QSARs) 肽相互作用结构表征氨基酸

人工神经网络在肽的定量构效关系研究中的应用: 《科技创新导报》2006年第20期12-13,共2页刘亚秀; 本文作者用人工神经网络模型和"相互作用"法研究了几种肽分子的定量构效关系(QSARs)。"相互作用"法是一种新的表征肽分子结构的方法,它认为:⑴在肽分子链中,任何两个氨基酸分子间都存在相互作用;⑵氨基酸分子间存在的相互作用值不仅与...; 关键词：定量构效关系(QSARs) 肽相互作用结构表征氨基酸

QSARS for Acute Toxicity of Halogenated Benzenes to Bacteria in Natural Waters被引量：2: 《Biomedical and Environmental Sciences》2006年第6期457-460,共4页GUANG-HUA LU CHAO WANG YU-MEI LI; This work was supported by the National 973 Great Foundation Research Item of China (2002CB412303) and the National Natural Science Foundation of Jiangsu Province (BK2004118).; Objective To measure the acute toxicity of halogenated benzenes to bacteria in natural waters and to study quantitative relationships between the structure and activity of chemicals. Methods The concentration values c...; 关键词：River bacteria Acute toxicity QSARS Prediction model

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