Transcript Education of Chemistry Librarians and Chemical Information

Education of Chemistry Librarians
and Chemical Information
Specialists in the Age of Informatics
Charles Davis
and
Gary Wiggins
Indiana University
Survey on CHMINF-L, March
1999
 Approximately
1,000 recipients
• Many not information specialists or
librarians
 71
responses
 Most replied by e-mail
 None chose to be anonymous
Undergraduate Majors
 Chemistry
45 + 5 joint degrees =
 Biology/Biochemistry
 Chemical Engineering
 Other
50
7
3
10
Undergraduate Minors
 English
 Other
•
•
•
•
•
•
•
Comparative Literature
French/Political Science
Mathematics
Microbiology
Physics
Technical Writing
Zoology
3
1 each
Undergraduate Degrees
 ACS Accredited
Degrees
 Non-accredited
25
10
(8 BA, 2 BS)
 Non-U.S. degrees
 No response
10
5
Master’s Degrees
 Chemistry
 MLS
 Other
•
•
•
•
17
45
1 each
Natural Sciences
Translator – MBA
Environmental Studies
Physics (with MLS)
 None
17
Ph.D. Degrees
 Chemistry
 Biochemistry
 Chemical
 None
Engineering
16
2
2
51
Employment
 Academic
33
 Industry
27
 Government
3
 CAS, Non-profit (2), Private sector, Selfemployed, Retired, Library contractor
(unemployed) (1 each unless noted)
Reasons for Entering Chemical
Information Field
 Genuine
Enjoyment and Interest in the
Field per se
20
 Wanted to Use Chemistry/Science
Background
19
 Alternative to Laboratory Work
18
 Library Work Appealing/Interesting 14
Reasons for Entering Chemical
Information Field
 Influenced
by Employer
 Application of Computer Aptitude/
Skills
4
 More Career Opportunities
 Experience in Publishing/
Database Work
4
8
4
Reasons for Entering Chemical
Information Field
 Literature
Searching in School
2
 Poor Job Market for Bench/
Research Chemists
2
 Research in Chemical Information 2
 Alternative to Research
1
 Consulting/
Entrepreneurial Opportunity
1
Reasons for Entering Chemical
Information Field
 Interaction
With Other People
 Realized Impact of CIS on Research
 Remuneration
 Suited Temperament Better
1
1
1
1
Computational Chemistry, Molecular
Biology, Bioinformatics Units
 Industry
 Academic
 Other
16
6
2
(7 joint)
(2 joint)
(Chemical) Informatics:
What is it?
 Web
of Science (1987-): “I” word
1195
• as of 6/20/99
 WoS:
“bioinformatics”
 WoS:“cheminformatics,” etc.
 CHMINF-L (5/91-): “informatics”
 SciFinder Scholar (1987-)
• 2179 references (1967-)
• 207,809 refs for “informatics”!!!
243
10
76
1197
A CAPLUS Entry for
Chemoinformatics
Chemoinformatics: what is it and how does it impact drug discovery. Brown, Frank K.
R. W. Johnson Pharmaceutical Research Institute, Raritan, NJ, USA. Annu. Rep. Med.
Chem. (1998), 33 375-384. CODEN: ARMCBI ISSN: 0065-7743. Journal; General
Review written in English. CAN 130:148151 AN 1998:803316 CAPLUS
Abstract A review with 18 refs. (c) 1998 Academic Press.
Indexing -- Section 1-0 (Pharmacology) Section cross-reference(s): 20
Drug design
(chemoinformatics: what is it and how does it impact drug discovery)
Information systems
(chemoinformatics; chemoinformatics: what is it and how does it impact drug discovery)
Supplementary Terms drug discovery chemoinformatics review
Selections from Most Recent
CAPLUS References
Zielesny, A.; Jilge, W. Development of a web-based chemical information
workspace at Bayer: review and perspectives for R&D. Proc. Int. Chem.
Inf. Conf. (1998), 112-119. CODEN: 67SSAV AN 1999:363096 CAPLUS
Roussis, Stilianos G. Exhaustive determination of hydrocarbon compound type
distributions by high resolution mass spectrometry. Rapid Commun.
Mass Spectrom. (1999), 13(11), 1031-1051. CODEN: RCMSEF ISSN:09514198. AN 1999:373482 CAPLUS
Toulhoat, Herve. Usage of the inter(tra)net for molecular modelling: from
fantasy to reality. Proc. Int. Chem. Inf. Conf. (1998), 62-74. CODEN:
67SSAV AN 1999:363092 CAPLUS
Major Topics in Chemical
Informatics
 Productivity
applications:
• Web-based chemical information
workspace
 Informatics
techniques:
• Sequential comparisons and Z-series
distributions
 Simulation:
• Molecular modeling
Productivity Applications
 Integrated
Chemical Information
Systems
 LIMS (Laboratory Information
Management Systems)
 Facilitate the collection/storage of and
access to essential information
Informatics Techniques
 Computational
Chemistry
 Analysis and correlation of data from
massive databanks
 Artificial Intelligence
 Neural Networks
 Combinatorial Chemistry
Simulation
 Molecular
Simulation
 Construction of models of molecular or
electronic structures and their use to
visualize, explain and predict the
behavior of chemicals, materials, or
biological compounds
 Classical mechanics force fields,
minimization algorithms,
dynamics/simulated annealing, etc.
Efforts to Create a Chemical
Informatics Program at IU
 June
1994: Discussion with John
Barnard at 1st NCIS
 1995- : Visits to IU by John Barnard
 September 1996: Survey of
pharmaceutical/chemical companies
and chemical informatics companies
 September 1997: Formation of first
Informatics Committee at IU
1996 Survey of Interest
 Proposed
Chem Informatics Programs:
• several alternatives for degree programs
• possibility of distance education
• multidisciplinary industry/academic
research cooperation
 Result:
• Significant interest from both chemical and
chemical informatics companies
Proposed Courses: School of
Informatics Undergrad Degree
9
core courses in Informatics
 9 additional hours within or outside the
school
 15 hours of Informatics courses taken
from a department/school outside the
School of Informatics
 http://informatics.indiana.edu
Representative Core Courses
 Information
infrastructure
 Information representation
 Mathematical foundations
 Social informatics
 Organizational informatics
 Human Computer Interaction
 Dist’d Systems & Collaborative Comput.
Existing Graduate Program
 Joint
MLS/MIS Chemical Information
Specialist Program
 In existence since 1969
 Requires bachelor’s degree in
chemistry
 Must take 3 existing one-hour chemical
information courses
Proposed Master of Science
Graduate Programs
 Health
Informatics
 Bioinformatics
 Chemical Informatics
 Human Computer Interaction
Proposed Graduate Courses
 Introduction
to Informatics
 Information Management
 Chemical Information Technology
 Chemical Informatics Techniques and
Methods
 Seminar in Chemical Informatics
 Applied Molecular Modeling
Timeline
 June
1999 Approval of the Board of
Trustees
 1999/2000 Approval of the Indiana
Higher Education Commission
 1999/2000 Course development
• NSF Combined Research-Curriculum
Development Program Proposal
 Fall
2000 First courses offered
Will it happen???
 As
the atom that lost an electron said to
another atom:
I’m positive!