1. Gary Wiggins Chemistry Library Indiana University
Chemical Information and Chemical Informatics Literacy at a Research University
Gary Wiggins
Chemistry Library
Indiana University
5/12/2019

2. Abstract
The Department of Chemistry at Indiana University offers four one-hour chemical information or chemical informatics courses on the undergraduate level and two three-hour courses on the graduate level. Most of the courses have been taught via teleconferencing across two campuses during the past two years, with some lectures delivered from England in one graduate course. A mix of free and commercial software and databases is used in the courses. Methodology, software, and cost figures will be presented.
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3. Special Programs at IU
MLS or MIS Programs with Specialization in Chemical Information (SLIS)
SLIS Graduates:
BS and MS Programs in Chemical Informatics (with PhD on the way)
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4. Undergraduate Courses
Four one-credit undergrad courses
C371 Chemical Informatics
C372 Molecular Modeling
C471 Chemical Information Sources and Services
C472 Computer Sources for Chemical Information
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5. Graduate Courses Two three-credit graduate courses
C571 Chemical Information Technology
C572 Molecular Modeling & Computational Chemistry
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6. Course Enrollments Course 1997 1998 1999 2000 2001 2002 C371 NA 10 5
111 97 84 65 56 55
C571 1 12
C372
C472 7 15 21
C572
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7. Also Polycom Participants
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8. Instructors My role in the programs
Director, Programs in Bioinformatics and Chemical Informatics (School of Informatics)
Head, Chemistry Library
New faculty member: Mu-Hyun Baik
IUPUI: Kenny Lipkowitz, Sam Milosevich, Doug Perry (Laboratory Informatics)
Visiting faculty, Adjuncts: Kevin Gilbert, John Barnard, Bill Milne, John McKelvey (IUPUI)
Guest lecturers: Guenter Grethe, others
Bioinformatics: Sun Kim, Jeffrey Huang (IUPUI)
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9. Methodology Much material on the Web
Lots of hands-on experience with both printed and electronic tools
Emphasis on re-use of data retrieved without re-keying
Emphasis on understanding the content and coverage of the tools and selecting the right tool(s)
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10. Options for CA Searching
SciFinder Scholar (C471)
STN on the Web (C472)
STN Express with Discover!
STN Easy
CA Student Edition (OCLC)
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11. Minerva CrossFire License
Beilstein CrossFire plus Reactions
Gmelin
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12. Other Tools Cambridge Structural Database
Specialized Reaction Databases
EROS
SPRESI
Organic Syntheses (FREE!)
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13. Other “Free” Tools Used
ChemFinder
NIST Chemistry WebBook
ChemSketch and ISIS/Draw
Many Web sites, e.g. PubMed, ChemIDplus, EPA Chemical Registry System, etc.
EndNote, ProCite, Reference Manager (campus license)
Microsoft NetMeeting and Excel (campus license)
Daylight software (campus license)
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14. CAS Academic Program Access after 5:00 PM and on weekends
Learning files for CA and Registry databases
Deep discounts on usage: 80% for PhD-granting institution; 90% for non-PhD
Limited Databases: CA, CAOLD, Registry, CIN and Learning Files (including LCA, LREGISTRY, LCASREACT, and LMARPAT)
Requires print CA subscription
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15. C472 STN Search Costs (Academic Program)
Year
# of Students
Costs
1999 15
$59.16
2000 21
$111.83
2001 7
$43.56
2002 10
$439.23
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16. Costs of Other Tools (FY 2002/2003)
Title
Cost
SciFinder Scholar Ph.D. Package 2
$74,100
SciFinder Scholar Sixth Seat
$15,800
Minerva CrossFire (Beilstein/Gmelin)
$38,493
Cambridge Structural Database
$2,000
DGRWeb
[$750]
EROS; Encyc. Reag. Org. Synth.
$2,205
Inorganic Cryst. Structure DB
[$1,400]
Analytical Abstracts
$2,024
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17. Costs of Other Tools (FY 2003/2004)
Title
Cost
ACS Journal Archives
$4,500
ACS Web Editions
$42,398
Royal Society of Chemistry Plan A & G
$20,417
Tetrahedron Family Subscription (Elsevier)
$27,263
Pcmodel
[Free to IU only]
Spartan ’02 Essential Edition (50 seats)
$5,500
SPRESI
$1,000
CRC Handbook of Chemistry & Physics
$1,295
Access Perry’s (Lange’s, Perry’s, + 1 other)
$2,500
TOTAL (ALL)
$241,645
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18. Wish List MDL Mentor Program: $20,000 (?) Science of Synthesis: $?????
Spectral Databases: $??????
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19. Chemical Information Literacy--
Is it affordable?
It MUST be!
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20. Thanks to Graduate Fellowship Sponsors:
Daylight Chemical Information Systems
MDL Information Systems
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