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From Chemical Information to Cheminformatics: Graduate Programs at Indiana University

From Chemical Information to Cheminformatics: Graduate Programs at Indiana University. Gary Wiggins School of Informatics wiggins@indiana.edu May 21, 2007. Abstract.

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From Chemical Information to Cheminformatics: Graduate Programs at Indiana University

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  1. From Chemical Information to Cheminformatics: Graduate Programs at Indiana University Gary Wiggins School of Informatics wiggins@indiana.edu May 21, 2007

  2. 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.

  3. Overview • SLIS Degrees • Informatics Degrees • Formal Courses in Informatics • Financial Aid • Jobs

  4. SLIS Degrees • School of Library and Information Science • http://www.slis.indiana.edu/ • Offers a range of degrees: MLS, MIS, and PhD • Many joint master’s degree programs • Several areas of specialization within master’s degree programs

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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/

  10. 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

  11. 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)

  12. 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

  13. 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”

  14. 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!

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. Jobs • SLIS Alumni Jobs • http://www.slis.indiana.edu/alumni/ • Informatics and SLIS Chem Grads • http://www.indiana.edu/~cheminfo/informatics/mls_mis_grads1.html • Laboratory Informatics • http://www.limsfinder.com/community/jobboard.php

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