Introduction to Cheminformatic ((3 Credits))

Catalog description

This course trains students to use the computer as a scientific instrument and publication tool within the realm of cheminformatics. Students will explore new and familiar software suites to collect and analyze chemical data and learn to format and present chemical structures in vector format for scientific communication. Students will be introduced to Python as a computational tool, used for both calculating and scripting tasks in data analysis. Concepts covered will include basic introduction to molecular computational chemistry, geometry optimization and reaction modeling, and applications for cheminformatics in fields such as drug discovery, materials science, and chemical research.