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基于知识图谱的精细化工辅助研发平台
引用本文:彭彬,杨晨,蓝锦煌,徐媚,桂其迹,黄智生,顾进.基于知识图谱的精细化工辅助研发平台[J].情报工程,2017,3(1):043-055.
作者姓名:彭彬  杨晨  蓝锦煌  徐媚  桂其迹  黄智生  顾进
作者单位:武汉科技大学计算机科学与技术学院,武汉科技大学计算机科学与技术学院,中怡精细化工集团有限公司,中怡精细化工集团有限公司,武汉科技大学计算机科学与技术学院,荷兰阿姆斯特丹自由大学计算机系,武汉科技大学计算机科学与技术学院
基金项目:国家自然科学基金项目(61673304,61272110);国家社会科学基金重大计划项目(11&ZD189);武汉市科技攻关计划(2016060101010047);软件工程国家重点实验室(武汉大学)开放基金(SKLSE2012-09-07)
摘    要:为每一个化学分子找到合理的归宿是化学工作者的使命,以CAS 号为中心构建化学物质的知识图谱有助于帮助科学家为化学分子寻找新的用途。我们在精细化工领域进了有益的尝试。首先用知识图谱描棕精细化工产品的生产工艺,以此为基础集成工艺链上化学品基本知识库、反应知识库、专利及学术文献、红外图谱、质谱等。研发平台集成了本体编辑、可视化及基于机器学习知识图谱构建,支持化学分子表达式的知识库查询及可视化展示等功能。

关 键 词:知识图谱,化学工艺,化学知识库

Knowledge Graph Aided Research and Development Platform for Fine Chemical Industry
Authors:PENG Bin  YANG Chen  LAN JinHuang  XU Mei  GUI QiJi  HUANG ZhiSheng and GU JinGuang
Institution:College of Computer Science and Technology, Wuhan University of Science and Technology,College of Computer Science and Technology, Wuhan University of Science and Technology,Ecogreen Fine Chemical Industry Group Limited,Ecogreen Fine Chemical Industry Group Limited,College of Computer Science and Technology, Wuhan University of Science and Technology,Department of Computer Science, Vrije University Amsterdam and College of Computer Science and Technology, Wuhan University of Science and Technology
Abstract:It is the mission of the chemical engineers to find a reasonable destination for each chemical molecule. The construction of the knowledge graph with CAS is helpful for the scientists to find new uses of chemical molecules. We have made a useful attempt in the field of fine chemicals. Firstly, this paper described the production process of fine chemical products with the knowledge graph, which is based on the basic knowledge base, the reaction knowledge base, the patent and the academic literature, the infrared spectrum, the mass spectrum and so on. Then, the research and development platform integrated the functions of ontology editing, visualization and machine learning based knowledge graph construction, and the query of knowledge base and visualization for chemical molecular expressions.
Keywords:Knowledge graph  chemical process  chemical knowledge base
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