REAXYS综合文献服务与数据库检索服务

THE

WORKFLOWSOLUTIONS

DESIGN

BY

CHEMISTS

FORCHEMISTSREAXYS产品经理李宁2013年5月1REAXYS综合文献服务与数据库检索服务提纲REAXYS简介REAXYS主要特色REAXYS应用案例REAXYS详细内容REAXYS检索实例REAXYS新平台REAXYS集成整合What

exactly

is

Reaxys?A

new

workflow

solution

(工作流解决方案)

forscientists

in

chemistry

and

related

areasA

resource

for

experimentally

validated

substanceproperties

and

reaction

data

(物质属性和反应数据)presented

with

chemistry

as

the

organizing

principleA

web-based

service(基于网络服务)

with

an

intuitiveinterface:

easy

touse

for

younger

students

as

well

asspecialist

researchers‹2›由化学家设计，根据化学特性组织信息One

Recordacross

time,

documents

and

publishers信息的收录PhysicochemicalPropertiesPharmacologyChemical

StructuresChemical

SynthesesWe

excerpt

all

data,

regardless

whether

they

support

the

main

themeof

the

publicationor

are

just

some

factsCrossFire

1.0

Structures&Facts177117721988

1989

199319962007

2009Beilstein

HandbookGmelin

HandbookCrossFire

Commander

V3.2plusReactionsCrossFire

Commander

V7.1Beilstein

on

STNREAXYS的发展历程REAXYS:4月2日升级只要你需要化学信息文文献摘检/索概/文念摘检索实实验验辅辅助

助发发表表前前最后最检后查检查4月2日后•

多种导出选择，

实际ELN

/

MsWord

/

Excel

/

PDF•

API

/

SFF

/

内容集成登陆页面改进•

IP地址访问，无并发用内户容限增制加，来自会议，书刊，其化学相关参考书。4月1日以前主要针对合成步骤计划化合物，物理化性质为先内容扩充•

400种主要期刊

+

1.6万种化学相关文献•

500万试验验证数据•

主要相关专利信息增添功能Reaxys排行编程•

直观的筛选工具•

分类检索方便快捷精选题名和摘要方便研究学者进行全领域的文献检索。提供更多、更广泛文献信息的访问。FactsFactsFacts15,973

PERIODICALS

COVERINGAGRICULTURAL

ANDBIOLOGICAL

SCIENCESBIOCHEMISTRY,

GENETICSAND

MOLECULAR

BIOLOGYCHEMICAL

ENGINEERINGCHEMISTRYDENTISTRYEARTH

AND

PLANETARY

SCIENCESENERGYENGINEERINGENVIRONMENTAL

SCIENCEIMMUNOLOGY

AND

MICROBIOLOGYMATERIALS

SCIENCEMEDICINENEUROSCIENCEPHARMACOLOGY,

TOXICOLOGYAND

PHARMACEUTICSPHYSICSAND

ASTRONOMYVETERINARYREAXYS

2013REAXYS收录与化学相关和交叉学科的内容，方便化学研究学者的获取。A

UNIVERSE

OFCHEMISTRY

INFORMATIONCHEMISTRY

RESEARCHERCHEMISTRY400

CORE

JOURNALSRELEVANT

CHEMISTRYPATENTSHISTORICAL

CHEMISTRYDATA

(FROM

1771)持续的创新:BY

CHEMISTS

FOR

CHEMISTSExperimental

proceduresSynthesis

plannerMarkush

view

erSimilarity

searchingReaxys

Structure

Flat

FileReaxys

APIsELN

interoperabilityeMolecules

integrationPubChemintegrationContent

Expansion&

IndexingAnalysis

and

reporting2013年将进行•

内容扩充和索引•

新的文献检索界面•

Reaxys从头至尾的工作流程检索，化学数据的深入发掘和参考文献的检查PLAN

•

DISCOVER

•

PUBLISH20092010201120122013Reaxys化学发现引擎——主要特色REAXYSCATALOGUED

AND

TAXONMISED

BYCHEMISTS

FOR

CHEMISTSUNFOCUSED

RESULTSBIBLIOGRAPHICAPPROACHESSENTIAL

TITLESACROSS

TIME/LITERATUREUSE-CASE

DRIVEN内容紧密结合，方便用户发现50,000,000

RESULTS

RETURNEDFURTHER

SEARCHNEEDEDOTHER

DATABASESRELEVANT

ANSWERSREAXYS支持整个工作流程回答你在研究过程中不同阶段的不同问题

一些关键问题，如下:Does

a

compound

exist?What

is

known

about

the

compound?Is

thiscompound

commerciallyavailable?How

to

synthesize

thiscompound?What

is

known

about

this

area

of

research?Who

else

is

working

on

thiscompoundor

reaction

type?Reaxys希望能提供相关和有效的答案，推

动研究进展，帮助你不断前行。了解其他学者或同行的

研究进展；及时了

解最新动态实验快速设计实验，发

现或合成化合物报告&交流总结成果；与其他

学者交流；分享经

验和体会UNDERSTANDWhat

others

have

doneDiscover

what

you

don’t

knowREPORT

&COMMUNICATE EXPERIMENTSummarize

results

Quickly

design

experimentsCheck

what

others

have

Find

or

synthesizedone

compoundsShare

results提供多种途径方式主页UNDERSTA

NDEXPERIM

ENTREPORT

&COM

M

UNICATEData

searchformby

subjectSearch

usingchemicalidentifiersPerform

aliteraturesearchOpen

astructuresearch

form自动规划:在创建合成路线时自动规划合成过程UNDERSTA

NDEXPERIM

ENTREPORT

&COM

M

UNICATE视图化分析:强大的筛选过滤功能帮助你快捷便利的发现UNDERSTA

NDEXPERIM

ENTREPORT

&COM

M

UNICATE报告功能:收集并整理相关信息UNDERSTA

NDEXPERIM

ENTREPORT

&COM

M

UNICATEUNDERSTA

NDEXPERIM

ENTREPORT

&COM

M

UNICATE报告功能:分享信息多类型内容无缝集成IN-HOUSE

DATA:Seamless

integrationfor

maximized

searchefficiencyPUBCHEM:Includes

biochem.

&pharmaco

informationCOMMERCIAL

AVAILABILITY:Data

and

purchasingpossibilitiesREAXYS

APIs:Combine

the

qualitydata

you

get

fromReaxys

with

in-housecreativity

to

buildnew

solutions

tailor-made

for

your

specificresearch

interestsELECTRONIC

LAB

NOTEBOOKS:Improve

collaboration,minimize

errors,save

timeREAXYS

STRUCTURE

FLAT

FILE:Incorporateinformation

into

datamining

and

internalsearch

systemsReaxys

应用案例——支持科研教学REAXYS支持科研和教学Dr.

M

aikel

Wijtmans,

Assistant

Professor

Amsterdam

Institute

of

Molecules,

Medicines

and

SystemsVU

University

Amsterdam专业：合成药物化学（Synthetic

MedicinalChemistry）在教学中应用Reaxys，他希望学生能够感受化学合成文献的广泛性，并且理解信息管理的重要性，最终希望学生能够在未来的职业生涯中学会成功使用类似的工具。“It

is

important

to

introduce

students

to

state-of-the-artsearch

software

early

on.

We

use

search

software

asearly

as

during

the

second

year

of

the

undergraduateprogram.

Students

need

to

appreciate

such

software

asthe

gateway

to

the

extensive

synthetic

research

effortsthathave

been

done

globally.”Reaxys在本科学生教育中的应用Dr.

Wijtmans会设计一些练习，要求学生们使用分子结构式去寻找文章。It

lets

them

see

the

importance

of

literature

management.

Iwant

them

to

learn

to

find

articles

on

their

own

but

also

to

get

a

sense

of

the

chemistry

research

that

has

already

beendone.Reaxys在硕士学生教育中的应用Dr,

Wijtmans和Dr.

Chris

de

Graaf在相关课程中设计了稍微复杂一些的研究课题，由学生先进行化合物的设计，在学习一些基础的逆合成课程过后，进而建议该化合物的合成计划。The

students,

who

have

a

range

of

backgrounds

withinpharmaceutical

sciences,

have

their

design

and

they

should

use

their

own

knowledge

together

with

Reaxys

to

findliterature

precedents

for

their

compound

or

similar

compound.They

may

discover

that

their

design

has

a

very

low

syntheticfeasibility

so

that

they

have

to

go

back

to

the

drawing

board.We

want

them

to

realize

that

compounds

do

not

‘drop

from

the

sky’,

but

at

the

same

time

that

the

tools

are

there

to

help

them

in

their

retrosynthetic

efforts..Reaxys详细内容物质(Substance)反应(Reaction)文献(Literature)检索物质（substance）结果（网格）检索物质（substance）结果（表格）物质（substance）详细内容物质（substance）的详细内容无论点击上面，还是此处的链接，相关的属性数据直接下拉显示。物质（substance）的属性（property）数据物质（substance）的属性(property)数据所有的反应通过表格的方式清晰呈现；

来源于不同文献的反应过程被整合在一起该篇文献的相关详细信息反应（reaction）的详细内容对于专利信息，详细的反应过程描述直接呈现反应（reaction）的详细内容文献（literature）的详细内容Reaxys检索实例物质检索反应检索文献检索物质属性检索联合检索精确结构检索子结构检索物质结构的不确定查询不定位R取代基检索查询只含有一个乙酸基团的所有苯胺半反应查询查询邻位C上连接一个芳基和

一个链状烷烃的羧基还原为醇羟基的反应全反应查询两个片段通过任意结构相连的底物

的转化反应定义化合物键的拓扑信息物质属性检索联合检索Reaxys新平台REAXYS新旧平台并行至6月1日新平台新旧平台转换链接旧平台REAXYS新旧平台并行至6月1日新平台旧平台新平台帮助页面Query

tabCreating

structure••••Data

search

formsAnalysis

viewAutoplanReport本次升级的特点——简洁、直接、便捷REAXYS新平台界面STRUCTURE

&

REACTIONS检索NAMES&

FORMULA检索LITERATURE检索检索项的选择高级检索个人账户登录支持多种结构编辑器，默认MARVINSKETCH(需要JAVA软件)安装兼容插件结构编辑器Reaxys

GenericsTemplate

Library画完的物质结构可以作为文件保存，使用时直接上载。AtomsMapping视图化的结果分析视图化的结果分析多种筛选功能多种筛选功能

——

SUB-STRUCTURE筛选选项的精细划分BREADCRUMB导