From Chemical Information to Cheminformatics: Graduate Programs at Indiana University

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From Chemical Information to Cheminformatics
Graduate Programs at Indiana University

• Gary Wiggins
• School of Informatics
• wiggins_at_indiana.edu
• May 21, 2007

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Abstract

• Indiana University has offered a program leading
  to a specialist certificate in chemical
  information since 1969. The certificate is taken
  in conjunction with either the Master of Library
  Science or the Master of Information Science
  programs in the School of Library and Information
  Science. More recent are the graduate degree
  programs and certificate offered through the
  School of Informatics. Those include the MS in
  Chemical Informatics, the PhD in Informatics
  (cheminformatics track), and the Graduate
  Certificate in Cheminformatics (a distance
  education program). The programs will be
  compared and contrasted with regard to the
  subject matter, pre-requisites for students,
  potential jobs after graduation, and techniques
  of instruction.

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Overview

• SLIS Degrees
• Informatics Degrees
• Formal Courses in Informatics
• Financial Aid
• Jobs

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SLIS Degrees

• School of Library and Information Science
• http//www.slis.indiana.edu/
• Offers a range of degrees MLS, MIS, and PhD
• Many joint masters degree programs
• Several areas of specialization within masters
  degree programs

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Chemical Information Specialist MIS Degree

• 42 semester-hour degree
• 21 hours of required courses including a
  programming requirement
• Additional required courses
• S533 Online searching
• S523 Science and Technology Information
• I571 Chemical Information Technology
• Candidates must have at least the equivalent of a
  bachelor's degree in chemistry.
• http//www.slis.indiana.edu/degrees/joint/cheminfo
  _mis.html

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Chemical Information Specialist MLS Degree

• 36 semester-hour degree
• Also requires
• S533 Online searching
• S523 Science and Technology Information
• I571 Chemical Information Technology
• Candidates must have at least the equivalent of a
  bachelor's degree in chemistry.
• http//www.slis.indiana.edu/degrees/joint/cheminfo
  .html

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Informatics MS Degree Programs

• http//www.informatics.indiana.edu
• MS degree 36 semester hours
• Includes a 6-hour capstone/research project
• IUB Bioinformatics, Cheminformatics,
  Human-Computer Interaction Design
• IUPUI also, New Media, Health Informatics,
  Laboratory Informatics

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MS in Cheminformatics

• http//cheminfo.informatics.indiana.edu
• Sound knowledge of chemistry and excellent
  facility in computer science
• Students with CS background should have the
  chemistry knowledge covered in an undergraduate
  minor in chemistry.
• Students with a Chemistry background should have
  the knowledge covered in an undergraduate minor
  in computer science.

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Unique MS Program at IUPUI

• Laboratory Informatics at IUPUI
• Instrumentation and data interfacing
• Laboratory notebooks
• Laboratory Information Management Systems (LIMS)
• http//informatics.iupui.edu/academics/laboratory/
  

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PhD in Informatics

• 90 hours of credit for the PhD in Informatics
  (cheminformatics track) consisting of
• 27 hours of required informatics courses
• I502 Information Management (3 cr.)
• Core informatics courses (9 cr.)
• Seminars in the cheminformatics track (6 cr.)
• Professionalism/Pedagogy course (3 cr.)
• Research Rotations (6 cr.)
• 12 hours in theory or methodology courses (or
  credits from an MS degree)
• 21 hours of electives (or credits from an MS
  degree)
• 30 hours of dissertation research

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Concentration Areas for the PhD in Informatics

• Bioinformatics
• Cheminformatics
• Health informatics
• Human-computer interaction
• Social and organizational informatics
• Complex systems, networks, modeling and
  simulation
• Security
• Music informatics
• New media (IUPUI)

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Formal Cheminformatics Graduate Courses

• Introductory graduate courses
• I571 Chemical Information Technology
• I572 Computational Chemistry and Molecular
  Modeling
• I573 Programming for Science Informatics
• I617 Informatics in Life Sciences and Chemistry
  (core PhD course for non-majors)
• Seminars, etc.
• I533 Chemical Informatics Seminar
• I647/I657 Advanced Chemical Informatics Seminars
• I553 Independent Study in Chemical Informatics

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I647 I657 Advanced Chemical Informatics
Seminars I-II

• Topics vary yearly and include
• representation of chemical compounds
• representation of chemical reactions
• chemical data, databases, and data sources
• searching chemical structures
• calculation of structure descriptors
• methods for chemical data analysis
• Molecular Informatics, the Data Grid, and an
  Introduction to eScience
• Bridging Bioinformatics and Chemical
  Informatics

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Graduate Certificate in Chemical Informatics

• Requirements 4 courses each 3 cr. hours
• I571 Chemical Information Technology
• I572 Computational Chemistry and Molecular
  Modeling
• I573 Programming for Science Informatics
• I553 Independent Study in Chemical Informatics
• For on-site IUB and Distance Education students
• DE Students pay in-state fees!

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Cheminformatics Enrollment Data, 2005/2007 (NIH
Grant)

• Currently have 4 PhD, 6 MS students
• 99 grad students have taken at least one
  cheminformatics course since Aug 2005.
• 39 of the grads (40 percent) accessed the courses
  through distance education (DE).
• CIC CourseShare
• Use Macromedia Breeze and phone for DE

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Why IU for Chemical Informatics/Library or
Information Science?

• Outstanding faculty
• Significant research activities (CICC)
• http//www.chembiogrid.org
• Excellent computer facilities and infrastructure
• Close proximity to
• major pharmaceutical companies (Lilly, Abbott)
• chemical informatics companies (Tripos,
  LeadScope, Chemical Abstracts Service)
• Outstanding chemistry library

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Fellowships and Financial Support Informatics

• PhD students fully supported
• Inforrmatics PhD fellowships
• 30,000 Lilly Fellowship in Informatics for
  outstanding student in bioinformatics, chemical
  informatics, or complex systems
• 30,000 Elsevier MDL Excellence in Informatics
  Fellowship for incoming PhD student in discovery
  sciences, concentration in cheminformatics
• Some aid for MS students

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SLIS Financial Aid

• Charles A. and Charles H. Davis Fellowship in
  Scientific Information
• 4,000 annual award to assist graduate students
  in the study of scientific information
• Fee scholarship packages with hourly positions
• include 24-27 credit hours of tuition remission
  (excluding university fees of about 25 per hour)
• hourly positions of 15 hours a week at 9.00 an
  hour job in the IU Chemistry Library

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Cheminformatics Resources Web Guide

• http//www.chembiogrid.org/related/index.html
• Academic Programs
• Chemistry Databases on the Web
• Professional Societies and Groups
• Companies and Independent Institutions
• Publications and Conferences
• Data Standards and Standards Groups
• Molecular Visualization Tools and Sites
• Web Services Technology Resources
• Other Guides to Cheminformatics Resources

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Jobs

• SLIS Alumni Jobs
• http//www.slis.indiana.edu/alumni/
• Informatics and SLIS Chem Grads
• http//www.indiana.edu/cheminfo/informatics/mls_m
  is_grads1.html
• Laboratory Informatics
• http//www.limsfinder.com/community/jobboard.php

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