Reaxys A New Tool to Optimize Chemistry Research

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1 Reaxys A New Tool to Optimize Chemistry Research
产品技术专家 高辉

2 提纲 Elsevier公司介绍 Reaxys介绍 Reaxys新功能介绍 Q&A及其现场演示

3 Elsevier公司简介

4 Elsevier（爱思唯尔） Elsevier是一家经营科学、技术和医学信息产品及出版服务的世界三大出版集团之一，其出版历史可追溯至1880年 遍布25个国家的74个分支机构和7,500 名员工 每年出版2000多种期刊和1900种新书 ，领域涵盖医学、生命科学、自然科学和社会科学等占全球科技期刊的25% 180个国家，3000万科研人员必不可少的科技信息资源

5 全球最全面的科学期刊和在线期刊与科学数据服务商，
主要产品有： Scopus —全球最大的文摘与引文数据库 ScienceDirect —全球最大的外文期刊全文数据库 CrossFire：Beilstein—全球最全的有机化学数值和事实库 Patent Chemistry—化学专利数据库 Gmelin—当今最全面的无机与金属有机化学事实数据库 Reaxys — Crossfire的升级产品 PharmaPendium —综合性药物安全性数据的关键来源

6 Reaxys 发展历史介绍

7 Reaxys的发展历程 January 1st 2009: Reaxys 1.0 CrossFire Commander V7.1
Gmelin Handbook Beilstein Handbook Beilstein on STN 1817 1881 1988 1989 1993 1996 2007 CrossFire Commander V3.2 plusReactions CrossFire 1.0 Structures&Facts January 1st 2009: Reaxys 1.0 2018年11月16日星期五 Slide 7

8 Reaxys的内容 丰富的内容,全面的高质量的数值与事实数据库 2800万反应 1800万物质 400万文献 Reaxys Patent
Beilstein Gmelin

9 Crossfire简介 CrossFire Beilstein Database :世界最全的有机化学数值和事实库 时间跨度从1771年至今
化学结构相关的化学、物理等方面的性质 化学反应相关的各种数据 详细的药理学，环境病毒学，生态学等信息资源 Patent Chemistry Database: Beilstein的完美补充 涵盖的国际专利类别[IPC]（1976年之后） C 有机化学 A61K 药物（医药，牙医，化妆品制备） A01N 生物杀灭剂（农用化学品，消毒剂等） C09B 染料（可能具有药理学活性）

10 Crossfire Gmelin 简介 CrossFire Gmelin Database:全面的无机化学和金属有机化学数值和事实库
1772年至今，3个月更新一次 详细的理化性质、地质学，矿物学，冶金学，材料学等方面的信息资源

11 Reaxys对电脑软硬件要求 操作系统 windows 操作系统版本
Windows 2000 Windows XP Windows Vista Windows 7 浏览器 必须允许Java和cookie运行 IE 6/ IE 7 Firefox 2/ Firefox 3 JAVA Sun Microsystems Java Version 5.0 or Java Runtime Environment (JRE) Version 1.5.0 结构式画图软件 -Marvin Sketch -Symyx ISIS Draw -Symyx Draw -CrossFire Structure Editor

12 Reaxys的优点： Reaxys不需要要安装客户端软件,使用方便； Reaxys功能不仅强大,而且使用界面也符合大众使用习惯,容易上手
Reaxys 将Beilstein/Patent/Gmelin三个数据库整合为一个 Reaxys 能把检索结果按照收率、催化剂等条件进行二次过滤 Reaxys 能够智能生成一条或多条合成路线

13 Reaxys登陆界面 网址：

14 选择画图软件

15 Back to Our Real Example… How did Reaxys Solve the Customer’s Query?
With one simple query, the exact answer, along with the single reference to precisely the right paper if needed. "...advantage is that the reaction data is already extracted from the journal article citations, whereas a bibliographic database will provide you with a list of references which you then must order and read“ subject librarian from US Here is the answer to the CHMNF question. Note that, as requested, the ring in the product is formed during the chemical transformation. The properties and conditions are fully included in the database record. And the link to the full text is available so that the researcher can go to exactly the right paper the first time. 15 2018年11月16日星期五 Slide 15 15

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17 Reaxys is completely web-based and runs on any internet browser and on any operating system. It is designed by the same User Centered Design team that created Scopus, and was created with direct feedback from chemists after observing their daily workflow. You can either draw a structure or simply type in the chemical name or synonym. You can also search by a combination of structure and data by adding further search conditions 17 2018年11月16日星期五 Slide 17 17

18 The results are displayed in an easy to read format
The results are displayed in an easy to read format. Your search history appears in the upper left corner. You can easily refine your results using our powerful filters on the left. For example, you can filter the 37 reactions shown by yield, solvent, or reaction type. 18 2018年11月16日星期五 Slide 18 18

19 All bibliographic references link out to the full text
All bibliographic references link out to the full text. Many of the references also link directly to the full abstract contained within Reaxys. 19 2018年11月16日星期五 Slide 19 19

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21 Intelligent Visualization of in-depth Experiemental Substance Data
Smart filtering to narrow your hit list View measured NMR spectral details right here! 21 2018年11月16日星期五 Slide 21

22 All data, including substance data, reactions, and bibliographic data are easily exportable to a variety of formats 22 2018年11月16日星期五 Slide 22 22

23 Reaxys的新功能一：强大的二次筛选功能
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28 Reaxys的新功能二：智能设计路线和对比

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35 Reaxys and Scifinder Reaxys: primary focus: data retrieval from articles Consequence: narrow down on journal selection Biggest reactions database Biggest experimental properties database. Scifinder: primary focus: comprehensive chemistry literature coverage. Consequence: high value in bibliography.

36 www.reaxys.com What is your Tools?
Reaxys is much more than a database, it is a workflow tool that is based on a unique repository of accurate and validated data. A simple interface allows for convenient searching and visualization of results. Being web-based you can easily have access from anywhere in your IP range. 2018年11月16日星期五 Slide 37 37