| Description | ||||||||||||||||||||||||||||||||
| Overview of chemical informatics techniques,
including chemical information and data systems, chemical structure and data representation and search systems, and bioinformatics techniques.
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Class Meeting Times are Tuesdays and Thursdays 11:15 AM - 12:30PM.
Meeting Places: IUB: Chemistry A400 IUPUI: ES2101 | ||||||||||||||||||||||||||||||||
| Grading and Requirements | ||||||||||||||||||||||||||||||||
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Grades will be based on 5 exercises and a paper or project. Each exercise
counts 10 percent of the grade, and the paper or project counts 50 percent.
Some of the exercises will give the students hands-on experience with the major coding concepts and databases used in chemical information systems today.
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| Introduction to Chemical Informatics | ||||||||||||||||||||||||||||||||
| Instructor: Dr. Sam A.F. Milosevich
Thursday, 8/21 and Thursday, 8/28: IUPUI ONLY [No class on Tuesday, 8/26] Information Anxiety, Knowledge Value Revolution. (PowerPoint)
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| Laboratory Information Management Systems and Electronic Notebooks | ||||||||||||||||||||||||||||||||
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Instructor: Dr. Doug Perry Tuesday, 9/2 Laboratory Information Management Systems (PowerPoint) Thursday, 9/4 Electronic Laboratory Notebooks (PowerPoint) | ||||||||||||||||||||||||||||||||
| Chemical Nomenclature | ||||||||||||||||||||||||||||||||
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Instructor: Dr. Charles H. Davis Tuesday, 9/9 "Nomenclature Lite:" A Guide to Naming and Indexing Chemical Compounds | ||||||||||||||||||||||||||||||||
| Introduction to Chemical Informatics | ||||||||||||||||||||||||||||||||
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Instructor: Dr. Gary Wiggins Thursday, 9/11
Chemoinformatics, cheminformatics, chemical informatics: What is it? (PowerPoint by Gary Wiggins) | Chemoinformatics: Where it has come from, where it is now, where it is going. (PowerPoint by Peter Willett)
Guest Lecturer |
Instructor: Dr. David Wild | Tuesday, 9/16 Hot topics in chemoinformatics in the pharmaceutical industry
Chemical Information and Database Systems |
Instructor: Dr. Gary Wiggins | Thursday, 9/18 Commercial Vendors (STN, Questel-ORBIT, etc.) Tuesday, 9/23 Personal Database Software
Chemical Patent Databases |
Instructor: Gary Wiggins | Thursday, 9/25 Patent Information (PowerPoint by Ron Kaminecki) Patent Information (PowerPoint by Ms. Adele Hoskin, IU SLIS) Patent Sources Patent Information 2 (PowerPoint by Ms. Adele Hoskin, IU SLIS) Patent Transcript
Spectral Databases
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Instructor: Dr. John C. Huffman | Tuesday, 9/30 NIST and Other Spectral Databases (PowerPoint)
Chemical Reaction Databases |
Instructor: Dr. Sam Milosevich | Thursday, 10/2 and Tuesday, 10/7 Reactions: Databases and Data Management (PowerPoint by Dr. Guenter Grethe, MDL Information Systems)
Molecular Modeling and Computational Chemistry |
Instructor: Dr. Mu-Hyun (Mookie) Baik
| Thursday, 10/9 Molecular Modeling and Computational Chemistry I Tuesday, 10/14 Molecular Modeling and Computational Chemistry II Introduction to Molecular Visualization and Modeling Software by Dr. Xinfeng (Frank) Gao
Guest Lecturer |
Instructor: Dr. Marc Nicklaus (NIH NCI Laboratory of Medicinal Chemistry)
| Thursday, 10/16 Chemical Databases, Identifiers, Tool Kits and Web Services (PowerPoint by Dr. Marc Nicklaus)
Molecular Modeling and Computational Chemistry |
Instructor: Dr. Mu-Hyun (Mookie) Baik
| Tuesday, 10/21 Molecular Modeling and Computational Chemistry III
Bioinformatics: Overview of Techniques |
Instructor: Dr. Sun Kim | Thursday, 10/23 Bioinformatics: A Project-Oriented View (PDF File)
Chemical Structure Representation and Search Systems |
Instructor: Dr. John Barnard |
Instructor: Dr. John M. Barnard |
Crystallographic Databases
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Instructor: Dr. John C. Huffman | Thursday, 11/6 Crystallography Databases (PowerPoint)
Chemical Structure Representation and Search Systems |
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Crystallographic Databases
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Instructor: Dr. John C. Huffman | Tuesday, 11/25 Cambridge Structural Database (CSD)
Thanksgiving
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Thursday, 11/27 No class
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Presentations of Student Projects or Papers
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Tuesday, 12/2 IUPUI Students
| Thursday, 12/4 IUB and IUPUI Students Tuesday, 12/9 IUB Students Only Thursday, 12/11 IUB Students Only |