Data Visualization in Cheminformatics

April 23, 2010
Halligan 106
Speaker: Simon Xi, Senior Principal Scientist, Computational Sciences CoE, Pfizer
Host: Sara Su


Cheminformatics is a multidisciplinary science that integrates chemistry, biology and computer science. In the modern pharmaceutical research, large amount of biological and chemical data are generated daily from high-throughput experiments. Scientists are increasingly relying on cheminformatics techniques to help them efficiently analyze and visualize data in order to make effective design and synthesis decisions. In this talk, we will discuss some cheminformatics basics, e.g. how chemical information is encoded, stored and retrieved in computer, and review some of the data analysis and visualization techniques used by scientists at various stages of drug discovery.