Reaxys for research intensive organizations

Report
IINDONESIA.VIETNAM
LEOW.PEI.SHAN
S&T/A&G/APAC
JUN.2013
[email protected]
NEW REAXYS….
1
CONTENTS
Is Chemistry only for Chemists?
About Reaxys
Reaxys for Undergraduates
Reaxys for Research Intensive
Organizations
What It Means To You
2
IS CHEMISTRY ONLY FOR CHEMISTS?
THE CENTRAL SCIENCE
Chemistry is a
central science
Math
Food Science
Cosmetic Science
Biomedical Science
BSc 1
Material Science
Polymer Science
Quantum physics
Nanotechnology
BSc 2
BSc 3/4
Biochemistry
Pharmacology
Pharmaceutical
Science
Master/pHD
Physics
Catalysis
Process chemistry
Material Scientists
GRI* / Corporate Market
*Government Research Institute
3
CONTENTS
Is Chemistry only for Chemists?
About Reaxys
Reaxys for Undergraduates
Reaxys for Research Intensive
Organizations
What It Means To You
4
ABOUT REAXYS
THE EVOLUTION
1771
1817
1881
Gmelin Online Beilstein Online
1988
1993
2013
2009
2007
Beilstein on STN
CrossFire 1.0
CrossFire Commander
-Earliest manual
record of chemical
structure
-Chemistry coming
into a discipline of
its own
B/G/JACS/Nature/
…RelevantPatents
…
Fields like:
-
Energy
-
Earth Planetary Sciences
-
Physics and Astronomy
-
Pharmacology/Toxicology/
-
Veterinary….(1823)
-Major Content
Expansion
-ELN integration
-Relevant features
For current and
Future users
-Preparation
For Big Data
Management
5
ABOUT REAXYS
OUR PHILOSOPHY
A chemistry search discovery engine for anyone looking for chemistry insights.
Essential
information
Relevant
answers
Actionable
chemistry
400 core journals + 16K periodicals, papers,
conference proceedings
500M Experimental Facts
Essential Chemistry Patents
Reaxys Ranking Algorithm
Cutting edge-filters
Taxonomy-driven search
Intuitive Workflow Solution for scientists in
chemistry R&D
ELN / MSWord / Excel / PDF
API / SFF / Content Integration
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CONTENTS
Is Chemistry only for Chemists?
About Reaxys
Reaxys for Undergraduates
Reaxys for Research Intensive
Organizations
What It Means To You
7
REAXYS FOR UNDERGRADUATES
FOUNDATION MATTERS
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REAXYS FOR UNDERGRADUATES
FOUNDATION MATTERS
Fac Representation
Mer Representation
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REAXYS FOR UNDERGRADUATES
FOUNDATION MATTERS
1.
Search for WF6 in Reaxys and identify the experimentally verified enthalpy of
crystalline phase transition data. Molar enthalpy of transition = ___________,
Temperature = _______________, Pressure = _________________
Compare the results with your lab session and discuss the findings.
2.
Use Reaxys to find the refractive index of ethyl acetate and compare those
results with your lab results. Account for the differences or similarities.
3.
Use Reaxys to determine the correlation between stereochemistry and melting
points. Discuss the relationship between the 3D environment and the physical
property.
4. Look for concepts of the following: “Tyrosinase Inhibitors’ and related
information. Look for “benzothiadiazole* solar* cell*” commonly looked upon in
material sciences and some preparations of related dendrimers.
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REAXYS FOR UNDERGRADUATES
FOUNDATION MATTERS
5. How do I find the IC50 value of chemical compounds that had been tested on
T.Cruzi in split seconds? Suggest synthesis methods for compound X.
6. Find various alloy composition of Ba, Y, Cu mix and narrow down the search to
those with electrical data properties. Develop an alternative test method to
characterize the alloys.
7. Find substances where Fe is bonded to a five-membered carbon ring, 2 CO’s, and
one C. Find Coordination complexes involving the heteroatoms of Salen and a
metal. Allow a substituted methyl to appear on any location of the 2 rings.
Discussed the relevancy of using VSEPR or molecular orbital bond theories in
explaining the 3D environment and physical properties of the compound.
11
CONTENTS
Is Chemistry only for Chemists?
About Reaxys
Reaxys for Undergraduates
Reaxys for Research Intensive
Organizations
What It Means To You
12
REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
SAR Table
Breaking bonds
Stereochemistry
retention
• EndNotes – Citations
• ELN – PerkinElmer
integration
• Speed up dataset
organization
• Paper submission timeline
shorten
• Report Management
Protecting group
function
R-Logic
query
formulation.
Substitution
queries can also
be input.
Organometallic / catalysis topics
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REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
For the Medicinal chemists/pharmacologists:
1- Is it possible to generate a SAR table of all indole derivatives, then, combine the
structures with my in-house compounds and then do a HTS.
2- How do I conduct compound structure filters on Reaxys?
3- I like to explore the compounds that had been tested on MCF-7 cell lines with less
noise.
For the Material scientists:
1-How can I pick out all information related to Pd-COD?
2-Biomaterials – Polyaniline graphite superconductors. What are the specific super
conductivity properties?
3-I am working on multiferroics. Can I get insights to all the different preparation
methods?
For the Food scientists:
1-Who and which region is really working on durian and alcohol biochemistry interactions
these days?
2- What are all the reactions that uses “lipase” as a catalyst?
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REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
For the Bioengineers:
1- Clean energy – algae fuel. Which corporate is already doing that?
2- What are the reaction steps for poly(lactide)?
3- A strain of yeast, saccharomyces cerevisiae, is used to produce geraniol, which can be
used as a source of biofuel. What other enzymatic reactions are there for geraniol
derivatives?
For the pure analytical chemists:
1- Is there any possibility to search for substances with specific NMR shifts in a specific
solvent, eg, 13C NMR (DMSO) Delta = 13.4, 23.4,120.5, 230.2, if I have an unknown
compound to identify?
2- What about other analytical parameters?
3- Like to look at all preparations of [BA0.5SR0.5]TIO 3 powder and their photoluminescence
behaviour.
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REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
• Metal-sulfur bonds, e.g., in metal thiolate salts, are of interest in both inorganic and
bioinorganic chemistry as models in various catalytic processes and as biological active
sites. An inorganic chemist will likely have distinct preferences on the chemical,
electronic, and structural characteristics of the desired thiol ligand or salt.
Furthermore, it may be desirable or more cost effective to purchase rather than
prepare the thiol(s) of interest.
• You need to :
- Search for FeS clusters and examine the 3D presentation. Also look into magnetic
targeted antibiotic microspheres (FexOy) preparations.
- Identify the most suitable electrochemical cell set-up for replication in the lab so that
electrochemistry behavior can be further studied / modified and compared to invitro/ex-vivo and/or in-vivo biological systems.
- Find commerical availability of FeS
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REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
• Current critical issue facing drug manufacturers is the lack of new pipelines and one of
the ways the industry is re-focusing is to look at drug delivery systems. With better drug
delivery systems, the failure rate of potential candidate is thought to be reduce. Using
the same drug to treat other indications can also be explored further. You would like to
explore the concept of “drug delivery” and “polymer” and “paclitaxel”.
• You need to :
- Use literature tab to look into all the works that had been done in so far on this area of
research, without going through full text screening.
- Explore the different type of polymers that had been prepared and their various
incorporation with the presence of the drug of interests.
- Explore in particular diazide-functionalized paclitaxel that can serve as both drug carrier
and crosslinker.
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REAXYS FOR RESEARCH INTENSIVE ORGANIZATIONS
MORE DISCOVERY, LESS SEARCH
• As a cosmetic RnD chemist, you have been tasked to work with your biology colleagues to
look into anti-hair loss strategies. A normal strand of hair stays on our scalp for about 4
years before dropping off naturally from the hair follicle. An active on the market,
Oleanolic Acid, at certain concentration, has been known to inhibit the activity of 5alpha 1 and 5-alpha 2 reductases. These 2 enzymes are responsible for producing
dihydrotestosterone (DHT). DHT is a male hormone that shortens the hair growth cycle
and thus cause hair follicles to become smaller and eventually lead to hair loss.
• You need to :
- Look at current natural sources of Oleanolic Acid that were successfully extracted
- Look at possible synthetic pathways to see the type of yields, raw materials availability
as you are competing with your colleagues in biology who are actively looking at biofermentation processes which are viewed to be “cleaner” and “greener”.
- Look at other side groups other than –COOH, synthesize them and pass them to your med
chem/biology colleagues to screen for potential bio/pharmaco- activities.
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CONTENTS
Is Chemistry only for Chemists?
About Reaxys
Reaxys for Undergraduates
Reaxys for Research Intensive
Organizations
What It Means To You
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WHAT IT MEANS TO YOU
YOUR PUBLICATIONS
•
More efficient way to manage research and free up time for publication
•
Reduce the depth of the “valley of death” during translation research process. (how?
Insights to what others are doing? So that can re-adjust your research direction and
insights earlier?
•
More discovery and less time on search.
•
Cost savings for corporate. Avoid unnecessary costs spend on machine or raw
materials. (How does this relate to the sigma/lean/kaizen processes? Either reduce or
avoid costs, how to factor in? )
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WHAT IT MEANS TO YOU
FOR THE MOBILE GENERATION
On Android, please
use Dotmatics
Elemental
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TO CONCLUDE
• RX SITS IN TANDEM WITH YOUR RESEARCH
WORKFLOW.
• REPRESENTS A NOVEL WAY OF
INFORMATION DISCOVERY AND
MANAGEMENT.
• SUITABLE FOR ANY STUDENTS AND
RESEARCHER WHO NEEDS CHEMISTRY
INSIGHTS.
• 15TH ASIAN CHEMICAL CONGRESS (20-23
AUG, SINGAPORE)
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THANK YOU
ANY QUESTIONS?
Online Help/ Recorded Webinars:
http://www.elsevier.com/online-tools/reaxys
Elsevier Direct Contact:
[email protected]
[email protected]
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