We have established a cheminformatics course at Oregon State University. This project-based, individualized course was designed to train chemistry researchers with programming and informatics tools to automate and accelerate research projects. First third of the course was focused on a top-down approach of teaching students the basics of structures and algorithms necessary to mine large amounts of chemical data. Second third was focused on interactively learning the Python programming language through hands-on sessions whereby the participants generated and refined scripts with the instructor and their colleagues. The last third was focused on bottom-up approach whereby the students planned, designed, and coded a Python software to achieve automation and acceleration of their own research. The lectures, assignments, and topics were tailored to fit each student's research interests based on three anonymous evaluations by the students. This individualized learning experience was key to the success of the course, and the projects completed in this course are currently being utilized rigorously to expedite scholarly research.

Implementing an interactive cheminformatics course for the acceleration of graduate chemical research

248th National Meeting (2014)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.