cheminformatics at iu

Welcome to the home of the Cheminformatics group at the School of Informatics and Computing, Indiana University, Bloomington, Indiana. Cheminformatics (also know as chemoinformatics and chemical informatics) is the branch of informatics dealing with all aspects of the representation and use of chemical structures and related information on computer. Its techniques are widely used in pharmaceutical and life sciences research, and it is closely linked with bioinformatics. 

Our group is a leading center in the U.S. for cheminformatics education and research, and is the only center we know of offering a range of formal qualifications in cheminformatics. For more information about cheminformatics at Indiana, please contact David Wild.

See the cheminformatics
faculty and students


Latest News

Our research and education in cheminformatics are currently or have recently been generously supported by:
Eli Lilly Symyx  CDD
NIH Roadmap      Microsoft Research       
We are also grateful to the following companies for generous provision of tools: OpenEye, Digital Chemistry, gNova.


Click to apply for:

 Ph.D. or M.S.
 Grad. Certificate
We offer programs to suit a wide range of educational needs in cheminformatics. The highest level is the Ph.D. in Informatics (cheminformatics track), a three to five year program aimed at preparing you for a career in cheminformatics in academia or industry, with a strong focus on research. The M.S. in Chemical Informatics is a professional degree targeted at those with backgrounds in chemistry, life sciences or software engineering who would like to specialize in cheminformatics. Finally, the Graduate Certificate in Chemical Informatics is a distance education program, aimed at professionals and academics who want to learn the essential techniques of cheminformatics but who do not have the time to take a full M.S. or Ph.D. course. We also host a variety of workshops and educational events. If you would like to talk more about the options available, please get in touch.

 Cheminfo Wiki
 David Wild's site
We have a lively and rapidly expanding research program in cheminformatics with an emphasis on multidisciplinary collaboration and tackling the big challenges of cheminformatics. M.S. and Ph.D. students have the chance to be actively involved in our research from the start. Research areas include integration of cheminformatics and bioinformatics; cyberinfrastructure, the semantic web, and Web 2.0 for cheminformatics; advanced predictive models, computational toxicology, chemical spaces and data mining. Along with Indiana's Community Grids Labs, we were recently been funded by the NIH  to be one of six Exploratory Centers for Cheminformatics Research: for more information on this see the center ChemBioGridwebsite. We are also supported by Elil Lilly for the development of aggregative data mining methods for drug disovery. For more information about our research, including recent presentations, see our Cheminformatics Wiki and David Wild's Website

       "The Chemical Informatics program at Indiana University provided with me with the skills and experience necessary to enter the workforce. With a background in chemical research before starting at Indiana, I was only prepared for a small segment of the industry. At Indiana, I had the opportunity to learn new tools to apply to chemical information, such as database design and language, programming, data curation, usability testing, and human-computer interaction. I was also able to collaborate with other students on projects in which we built tools to handle chemical data, and to work on my own project for my thesis " Combinatorial Study of a Purine-based Computational Library and the Effects of Cisplatin Binding". The experience at Indiana University was well worthwhile, and the faculty was highly motivated and keen to work with the students, providing an exciting and nurturing environment. I would do it all again if I did not have a California mortgage payment!" Leah Sandvoss, Chemical Informatics M.S. alumnus and Information Scientist at Pfizer.