SciFinder Scholar Training Overview 7/28/2016
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SciFinder Scholar Training Overview 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 1 Agenda overview • Who is CAS? • How SciFinder Scholar™ helps you to access scientific information • SciFinder Scholar features • Training resources • Live demonstration of SciFinder Scholar 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 2 SciFinder Scholar is an easy to use research tool • • • • • Uses conversational language Offers a point and click interface Smart searching Structure searchable Provides links to journal articles and patent documents • Updated daily • Available for 24 hour access 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 3 SciFinder Scholar is produced by CAS, a division of the American Chemical Society • Indexes and summarizes chemistry-related information from scientific journals, patents, conference proceedings, and other pertinent documents • Produces the world's largest and most comprehensive databases of chemical and related scientific information 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 4 CAS products/services • • • • • • Chemical AbstractsTM CAS REGISTRYSM STN® family of products SciFinder® SciFinder ScholarTM Science IP® 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 5 CAS organizes diverse content from many sources to build its databases CAS REGISTRYSM CA Family* CASREACT® CAS Scientists CHEMCATS® CHEMLIST® CIN® MARPAT® ToxcenterSM *The CA Family is comprised of CA, CAplus and CAOLD 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 6 SciFinder Scholar selects databases for you – so you can start searching right away! • • • • • • CAplusSM CAS REGISTRYSM CASREACT® CHEMCATS® CHEMLIST® MEDLINE® 7/28/2016 These databases are working behind the scenes, providing data for your research project depending on the task that you are performing. SciFinder is a registered trademark of the American Chemical Society 7 CAplus • Bibliographic database from 1907 to present, with more than 140,000 records before 1907 • Covers international scientific journals, patents, books, conference proceedings, dissertations, and more • Updated daily with ~4000 references 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 8 CAS REGISTRY • World’s largest authoritative chemical substance database – More than 36 million organic and inorganic substances – More than 59 million protein and nucleic acid sequences • Each substance is assigned a CAS Registry Number® • Updated daily with ~12-15K substances 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 9 CASREACT • Organic reactions database • Document based database containing more than 15 million single- and multistep reactions from journals and patents • Structure searchable • Updated weekly 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 10 CHEMCATS • Catalog and chemical library database • Contains information on commercially available chemicals and worldwide suppliers – More than 900 suppliers – More than 1025 catalogs • Updated as new catalogs are received 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 11 CHEMLIST • Regulated Chemicals Listing – Identifies substances from more than 100 inventories and regulatory lists from around the world • Updated weekly 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 12 MEDLINE • Bibliographic biomedical and clinical science information database • Produced by the National Library of Medicine • Covers 1950 to present • Updated several times per week 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 13 CAS database content is robust • More than 10,000 scientific journals are monitored of which over 2000 have cover-to-cover coverage • Patents from 51 active patent issuing authorities • Important scientific discoveries from the mid-1800s to the present 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 14 All this data supports your chemical research • More than 1 billion experimental and predicted properties • More than 15 million single- and multistep reactions • Ability to do structure searching • Easily access millions of abstracts, organic and inorganic substances, and reactions 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 15 … and also biological research • Comprehensive databases provide extensive scientific information obtained from public publications and patents • Scientific information from top journals – Cell, Science, Nature, Molecular Cell, etc. • Published patents in areas such as proteomics, biological methods, drug formulations, biofuels, cosmetics, etc. • Relationship between diseases, biological processes, and proteins 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 16 SciFinder Scholar offers convenient searching features • Explore – By research topic – By author – By company or organization – By substance or chemical name – By reaction • Browse the table of contents of journals • Locate and link to references and substances of interest 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 17 SciFinder Scholar features • Sort, analyze, or refine search results – Publication year, company name, document type, etc. • Conduct citation searching and linking • Options for obtaining full-text patents or journal articles utilizing ChemPort® • Print results in different formats • Obtain current information on commercially available chemicals and their worldwide suppliers – Ability to export to Microsoft® Excel® 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 18 Other popular features • Categorize uses indexing to sort and evaluate a reference answer set by creating a histogram for easy analysis • Save answer sets • Combine answer sets of the same type for substances, reactions, or references 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 19 SciFinder Scholar has robust structure and reaction features • Ability to draw or modify a chemical structure using the Structure Drawing Window • Find reactions and develop a synthesis plan or find retrosyntheses • Explore by substructure and its stereochemistry (requires Substructure Module) • Explore from substructure displays • Print substances in a 1-4 column grid format for easy review or as a quick reference 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 20 SciFinder Scholar license agreement provides guidelines for proper use • Use for any academic research • Prohibits use for commercial purposes SciFinder Scholar is for academic use. 7/28/2016 SciFinder is for commercial and government use. SciFinder is a registered trademark of the American Chemical Society 21 Why use SciFinder Scholar? • Contains the most comprehensive databases of up-to-date publications • Has easy to use search functions with built in smart searching • Has ability to draw and modify chemical structures in order to search for information on a specific compound or reaction • Helps students and faculty to spend more time on their research and less time on journal searching 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 22 SciFinder Scholar training resources • CAS SciFinder e-Seminars http://casevents.webex.com • How to Guides • SciFinder Strategies • SciFinder Scholar Getting Started Guide http://www.cas.org/support/academic/sf/index.html 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 23 Any questions? 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 24 Hands on practice demonstration 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 25 SciFinder Scholar entry point It is very important to read and review the SciFinder Scholar License Agreement to understand the terms and conditions for each user before clicking the Accept button. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 26 Search decision starting point Start Scholar searching by clicking New Task. Scholar offers 3 starting points. We will start with Explore. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 27 Options to Explore the scientific literature Explore is broken into 3 sections: 1. Explore Literature 2. Explore Substances 3. Explore Reactions We will start with Research Topic. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 28 Explore by Research Topic To search: 1. Type your broad concept using phrases. 2. Click OK. 3. Select the option(s) that most closely fit your topic. 4. Get References 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 29 Research topic references References that fit your topic search criteria with relevant terms highlighted are shown. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 30 Examine answers in more detail Click on Microscope icon to obtain more information on this selected reference. Note that search terms are highlighted, including abbreviations and synonyms that are recognized by Scholar to enhance retrieval. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 31 Obtain full text of selected document via ChemPort® Click the full-text icon. This document can be obtained by clicking on the HTML link and retrieved on the internet. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 32 Explore by Company Name It is recommended that the broadest company name variation possible be used. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 33 Company name reference result Note the hit term highlighting. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 34 Explore by Author Name Enter as much of the author’s name as you know. Recommend that you leave this box checked in order to account for name variations and typographical differences. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 35 Author Candidates to select from Select all possible name variations, then click Get References. Misspelling or another author? 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 36 Author name references Here we see hit term highlighting of the various author name variations. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 37 To narrow an answer set, use Analyze, Refine, or Categorize To reduce your answer set, click Remove Duplicates to remove any duplicate MEDLINE records. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 38 Options to Analyze the answer set by Select the option to analyze by and click OK. 7/28/2016 By selecting ‘Sort results alphabetically’ one is able to review publication trends over time in the analysis shown above. SciFinder is a registered trademark of the American Chemical Society 39 References can be refined by using the Analyze by feature Review all candidates for name variation, check desired ones then click Get References. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 40 To Refine an answer set by Document Type 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 41 Refine results by Document Type Refining this search results in 17 patents. The newest reference appears first. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 42 Categorize helps you to analyze your answer set into categories Select a category of interest from the left column, and then select the CA index term from the right column. Click Get References. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 43 Use Get Related Information options 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 44 Get Related Information results for EJ Corey For example: • 2257 cited references • 9368 citing references • 6766 substances • 15,708 reactions • See next slide for eScience® 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 45 eScience Get Related search eScience option brings the original search into the selected search engine. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 46 Utilize Combine feature to combine multiple answer sets Search Question: Locate publications by E J Corey that are not affiliated with Harvard. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 47 Combining answer set strategy • • • • • • • 7/28/2016 Search Strategy Conduct search for all publications by E J Corey using Explore by Author Remove Duplicates Save the Answer Set Analyze/Refine by Company/Organization – Harvard Click on Combine Click Estimate Choose Remove current set from saved set feature to locate all publications not affiliated with Harvard SciFinder is a registered trademark of the American Chemical Society 48 Combine answer sets process Save your first answer set for future retrieval. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 49 Combine answer sets process 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 50 Combine Answer Sets process • Combine two answer sets of the same kind: reference, substance, or reaction This selected combined answer set reflects the author references not affiliated with Harvard. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 51 Combine answer set analysis of author’s organizational affiliation These may represent organizations Corey has consulted with in addition to when he worked at the University of Illinois. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 52 Explore Substances either by Chemical Structure or Molecular Formula 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 53 Structure drawing window To help learn more about structure drawing click on HELP. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 54 Use Exact Search to find substances 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 55 Substances that match the Exact search for the structure 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 56 Explore similar substances Once you have completed drawing your structure, click the Get Substances. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 57 Similar substance analysis The histogram on left displays results clustered into similarity scores; select desired score(s) and click Get Substances. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 58 Obtain substance references Click the References icon for an individual substance to display all references for that substance in the Main Viewer. Then click on Microscope icon for more information on specific reference. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 59 Bibliographic Information for a substance reference 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 60 Explore by Molecular Formula 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 61 Molecular formula results 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 62 Explore Reactions search option 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 63 Look for aspirin reactions Reaction drawing tools. 7/28/2016 Once you have completed drawing your structure, click the Get Reactions Button. SciFinder is a registered trademark of the American Chemical Society 64 Explore Reactions Roles Look for reactions that detail a synthesis of aspirin as a product. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 65 Review reaction structure results and perform additional tasks Ability to right click on any structure component and perform additional tasks. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 66 Locate features 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 67 Locate Literature using Bibliographic Information option Locate a 1975 journal reference by EJ Corey in Tetrahedron. Enter as much information that is known. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 68 1975 Tetrahedron references by EJ Corey – note highlighting 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 69 Locate Substance information Input the substance name, patent number or CAS Registry Number to locate a desired substance. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 70 Substance REGISTRY record Click on the Microscope icon to get the REGISTRY record for this substance. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 71 Locate substance references associated with its preparation 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 72 3D view requires additional software available from Accelrys® 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 73 Locate chemical suppliers for a specific substance By clicking on the Commercial Sources icon, you will receive available chemical supplier data that can be exported to Excel®. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 74 Supplier data exported to Excel 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 75 Locate a substance’s reaction by selecting a specific Reaction Role 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 76 Browse journal table of contents 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 77 Browse for Cell table of contents 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 78 When finished searching…. Remember to EXIT from SCIFINDER SCHOLAR due to concurrent user limitations 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 79 Any questions…. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 80 Practice questions • What is the structure of Aleve? What is its CAS Registry Number? • When and where did Dr. Theodore Duello receive his PhD? What was the title of his dissertation? • In the past five years, what company has done most of the research in the area of ‘peptidase inhibitors’? • What are the titles of the patents on ‘Bergman cyclization’? 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 81 Practice question answers For the following questions: Note searches were done on 9-25-07, due to the daily updating of SciFinder Scholar research results may vary when done in the future. 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 82 What is the structure of Aleve? What is its CAS Registry Number? Use Locate by Substance Identifier: Aleve 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 83 When and where did Dr. Theodore Duello receive his PhD? What was the title of his dissertation? Explore by Author Name – Select Theodore J Duello Refine by Document Type – Dissertation 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 84 In the past five years, what company has done most of the research in the area of ‘peptidase inhibitors’? Explore by Research Topic – peptidase inhibitors Select 4686 references found containing the concept Remove Duplicates (removed 1355) Refine by Publication Year: 2002- (1427 references) Analyze results by Company/Organization – Merck has done the most research (more than 110 references) 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 85 What are the titles of patents on ‘Bergman cyclization’? Explore by Research Topic – Bergman cyclization Select 446 references containing the concept Refine by Document Type – patent 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 86 Supplementary slides • • • • Overview of SciFinder “smarts” Benefits of a substructure search Atom mapping tool example Reaction bond marking tool example 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 87 Overview of SciFinder “smarts” 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 88 Benefits of a substructure search • Retrieves answers included in exact and related structure searches, plus answers with additional substitution • Allows substitution at any position where substitution is allowed – all nodes are assumed to be “open” and ring systems are assumed to be “unlocked” • Requires the SciFinder Substructure Module (SSM) 7/28/2016 SciFinder is a registered trademark of the American Chemical Society 89 Use atom mapping tool for more precise reaction searching This reaction retrieves over 1300 reactions. In many answers, it is not the amine changing to the nitro – the transformation does not occur in the desired place. It is better to map the nitrogen so SciFinder knows that you desire the same amine to be oxidized to a nitro group. Get 88 reactions. 7/28/2016 Atom reaction mapping tool. SciFinder is a registered trademark of the American Chemical Society 90 Reaction bond marking Nearly 900 reactions retrieved, but it is not the chloro being replaced by the oxygen as desired. It is best to mark the bonds being changed. After designating bonds to be transformed, you get 565 answers – all have chloro being replaced by an oxygen. 7/28/2016 Reaction site marking tool. SciFinder is a registered trademark of the American Chemical Society 91
