New Reaxys….

1. IINDONESIA.VIETNAM Leow.Pei.Shan S&T/A&G/APAC JUN.2013 p.leow@elsevier.com New Reaxys….

2. CONTENTS Is Chemistry only for Chemists? About Reaxys Reaxys for Undergraduates Reaxys for Research Intensive Organizations What It Means To You

3. Is Chemistry only for Chemists? The central science Chemistry is a centralscience Math Physics Biochemistry Pharmacology Pharmaceutical Science Material Science Polymer Science Quantum physics Nanotechnology Food Science Cosmetic Science Biomedical Science Catalysis Process chemistry Material Scientists BSc 1 BSc 2 BSc 3/4 Master/pHD GRI* / Corporate Market *Government Research Institute

4. CONTENTS Is Chemistry only for Chemists? About Reaxys Reaxys for Undergraduates Reaxys for Research Intensive Organizations What It Means To You

5. About Reaxys The Evolution 2013 2009 1988 1817 Beilstein Online Beilstein on STN Gmelin Online CrossFire 1.0 CrossFire Commander -Earliest manual record of chemical structure -Chemistry coming into a discipline of its own B/G/JACS/Nature/…RelevantPatents… 2007 1993 1771 1881 -Major Content Expansion -ELN integration -Relevant features For current and Future users -Preparation For Big Data Management Fields like: • Energy • Earth Planetary Sciences • Physics and Astronomy • Pharmacology/Toxicology/ • Veterinary….(1823)

6. About Reaxys Our philosophy A chemistry search discovery engine for anyone looking for chemistry insights. • 400 core journals + 16K periodicals, papers, conference proceedings • 500M Experimental Facts • Essential Chemistry Patents Essential information • Reaxys Ranking Algorithm • Cutting edge-filters • Taxonomy-driven search Relevant answers • Intuitive Workflow Solution for scientists in chemistry R&D • ELN / MSWord / Excel / PDF • API / SFF / Content Integration Actionable chemistry

7. CONTENTS Is Chemistry only for Chemists? About Reaxys Reaxys for Undergraduates Reaxys for Research Intensive Organizations What It Means To You

8. Reaxys for Undergraduates Foundation matters

9. Reaxys for Undergraduates Foundation matters Fac Representation Mer Representation

10. Reaxys for Undergraduates Foundation matters • 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. • Use Reaxys to find the refractive index of ethyl acetate and compare those results with your lab results. Account for the differences or similarities. • Use Reaxys to determine the correlation between stereochemistry and melting points. Discuss the relationship between the 3D environment and the physical property. • 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.

11. Reaxys for undergraduates Foundation matters 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. 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. 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.

12. CONTENTS Is Chemistry only for Chemists? About Reaxys Reaxys for Undergraduates Reaxys for Research Intensive Organizations What It Means To You

13. Reaxys for research intensive organizations More Discovery, less search SAR Table • EndNotes – Citations • ELN – PerkinElmer integration • Speed up dataset organization • Paper submission timeline shorten • Report Management Breaking bonds Stereochemistry retention Protecting group function R-Logic query formulation. Substitution queries can also be input. Organometallic / catalysis topics

14. Reaxys for research intensive organizations More discovery, less search For the Medicinal chemists/pharmacologists: 1- Is it possible to generate a SAR table of allindole 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?

15. 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 enzymaticreactions 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]TiO3powder and their photoluminescence behaviour.

16. 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 in-vitro/ex-vivo and/or in-vivo biological systems. Find commerical availability of FeS

17. 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.

18. 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 5-alpha 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 bio-fermentation 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.

19. CONTENTS Is Chemistry only for Chemists? About Reaxys Reaxys for Undergraduates Reaxys for Research Intensive Organizations What It Means To You

20. 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? )

21. What it means to you For the mobile generation On Android, please use Dotmatics Elemental

22. 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)

23. THANK YOUANY QUESTIONS? Online Help/ Recorded Webinars: http://www.elsevier.com/online-tools/reaxys Elsevier Direct Contact: sginfo@elsevier.com p.leow@elsevier.com