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本文介绍对化学化工科技文献进行主题标引的实践经验和《中国化工文摘》及其数据库所选用的“三级主题标引法”,推荐了二十个可作二级限定的主题词,给出了各级主题词对照选词一览表。还介绍了采用“三级主题标引法”时应注意的问题,列出了正确标引实例。可供化学化工行业主题标引人员及全国各系统检索化学化工文献时参考。 相似文献
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Internet上免费化学化工资源检索 总被引:2,自引:0,他引:2
介绍了Internet上免费化学化工资源的导航系统、免费化学数据库、免费化学化工软件、免费化学化工期刊及可免费查询的世界各国专利。 相似文献
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介绍了因特网化学化工资源的组成、种类网址及一些重要的信息服务项目和信息数据库,揭示出信息时代高科技应用的重要性。 相似文献
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《化学世界》2020,61(3)
<正>《化学世界》杂志创刊于1946年5月,是上海华谊(集团)公司主管、上海市化学化工学会主办的应用型化学化工综合性期刊。本刊设有研究论文(包括无机化学、有机化学、高分子、工业分析、化学工程和综合利用等)、综述与进展、新技术、研究专题、学术动态、应用与实践(含实验与教学)和亮点介绍等栏目;主要报道化学化工的科研成果,化工生产技术改造和经验,传播化学化工知识。本刊国内外公开发行。主要的读者为从事化学化工的科学技术工作者、大专院校师生和中学教师等。本刊所刊论文被中国学术期刊文摘数据库(CSAD)、中国科学引文数据库(CSCD)、中国学术期刊综合评价数据库 相似文献
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The chemical sciences integrate numerous pieces of structural data into families of compounds, and countless experimental results of reactive processes into ground rules. Collecting these pieces of information, analyzing them, and making the relevant contextual connections between them is in the heart of chemistry education. Here we emphasize the contribution of technology, and more specifically, chemical databases for enhancing these learning processes. Several important, open access, databases are described in detail and examples of using them in chemistry class are provided. In an era of continuous information revolution we hope that chemistry instructors will take the next step up, and acquire the professional skills needed to integrate the use of technology and chemistry databases in their classes. 相似文献
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Namjin Jang Jamin Koo Dongil Shin Moon Shik Jo Yi Yoon En Sup Yoon 《Korean Journal of Chemical Engineering》2012,29(1):36-41
Traditionally, regulations, standards, codes and management systems were established after major accidents such as Seveso
Directive by Seveso accident, Italy, in 1976, etc. Also, several chemical material and process accident databases were developed
and implicated in the world. In this paper, we introduce a set of recently developed databases, such as eMARS (EC), HSEES
(USA) and PEC-SAFER (Japan), and describe current development of a chemical accident tracking system in Korea. Especially,
we intensively focused on general classification codes, simplified and effective database structure, user friendly interface
and intuitional searching methods. Additionally, the chemical accident trends were analyzed by using third grade of accident
casualties and property’s loss. Finally, suggestions for applicability improvement of database are proposed. To improve the
management and operability of hazardous materials and chemical processes, the systemic approaches are essential using accident
database. The developed database and suggested issues in this study can perform an important function in the chemical industries. 相似文献
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《中国耐火材料》2015,(1)
Thermodynamic databases are very useful to analyze the complex chemical reactions happening in high temperature material processes. An accurate thermodynamic database based on physically sound thermodynamic models can provide thermodynamic calculations of useful phase diagrams and comprehensive chemical reactions related to refractory corrosion in steelmaking processes. In this study,the FactS age thermodynamic database,one of the most comprehensive thermodynamic databases for oxide systems among other commercial software,is reviewed in particular for the steelmaking refractory research,and several applications to refractory corrosion are presented. 相似文献
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Fengbo Wu Ting Xu Gu He Liang Ouyang Bo Han Cheng Peng Xiangrong Song Mingli Xiang 《International journal of molecular sciences》2012,13(12):15668-15678
Focal adhesion kinase (FAK) is a tyrosine kinase that functions as a key orchestrator of signals leading to invasion and metastasis. In the current study, the multicomplex-based pharmacophore (MCBP)-guided method has been suggested to generate a comprehensive pharmacophore of FAK kinase based on seven crystal structures of FAK-inhibitor complexes. In this investigation, a hybrid protocol of virtual screening methods, comprising of pharmacophore model-based virtual screening (PB-VS) and docking-based virtual screening (DB-VS), is used for retrieving new FAK inhibitors from commercially available chemical databases. This hybrid virtual screening approach was then applied to screen several chemical databases, including the Specs (202,408 compounds) database. Thirty-five compounds were selected from the final hits and should be shifted to experimental studies. These results may provide important information for further research of novel FAK inhibitors. 相似文献
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国内现已有多个试剂数据库和试剂网,但主要为试剂销售平台,缺乏更广泛的试剂信息.我们将现有多个数据库与试剂信息整合,扩展了试剂信息的服务内容:1)提供通过化学结构检索试剂信息的途径;2)提供试剂对应化合物的毒性实验数据;3)提供试剂的安全技术信息(包括紧急响应、火灾处理等);4)提供较全面的物理化学性质数据,包括化合物红外谱图和质谱谱图等;5)提供试剂有关的制备反应与相关文献信息.本工作是上海化学试剂资源协作网的一部分,所提供的化学试剂信息服务对现有化学试剂信息服务是一个很好的补充. 相似文献
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Knowledge discovery and data mining tools are gaining increasing importance for the analysis of toxicological databases. This paper gives a survey of algorithms, capable to derive interpretable models from toxicological data, and presents the most important application areas. The majority of techniques in this area were derived from symbolic machine learning, one commercial product was developed especially for toxicological applications. The main application area is presently the detection of structure-activity relationships, very few authors have used these techniques to solve problems in epidemiological and clinical toxicology. Although the discussed algorithms are very flexible and powerful, further research is required to adopt the algorithms to the specific learning problems in this area, to develop improved representations of chemical and biological data and to enhance the interpretability of the derived models for toxicological experts. 相似文献
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Chi Liu Gu He Qinglin Jiang Bo Han Cheng Peng 《International journal of molecular sciences》2013,14(7):14225-14239
Methione tRNA synthetase (MetRS) is an essential enzyme involved in protein biosynthesis in all living organisms and is a potential antibacterial target. In the current study, the structure-based pharmacophore (SBP)-guided method has been suggested to generate a comprehensive pharmacophore of MetRS based on fourteen crystal structures of MetRS-inhibitor complexes. In this investigation, a hybrid protocol of a virtual screening method, comprised of pharmacophore model-based virtual screening (PBVS), rigid and flexible docking-based virtual screenings (DBVS), is used for retrieving new MetRS inhibitors from commercially available chemical databases. This hybrid virtual screening approach was then applied to screen the Specs (202,408 compounds) database, a structurally diverse chemical database. Fifteen hit compounds were selected from the final hits and shifted to experimental studies. These results may provide important information for further research of novel MetRS inhibitors as antibacterial agents. 相似文献
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面向对象技术近年来获得了很大发展,现已广泛用于数据库、软件工程及人工智能等领域。本文阐述了面向对象技术的基本原理、方法及其优点,介绍了国内外面对对象技术在化工专家系统中应用的概况,着重介绍了在过程能量综合专家系统开发中的应用。 相似文献