Research Overview

With the significant progress of combinatorial chemistry since the 1990s, large chemical libraries became the primary source of modern drug discovery procedures. Over the past ten years, this effort also stimulated the development of high-throughput Screening (HTS) techniques. The progress of chemical synthesis (e.g., synthesizing large chemical libraries) and testing methods (e.g., HTS) has advanced cheminformatics research into a new stage. When a new compound is proposed for any specific study, other research groups may have tested it hundreds of times. Gathering and using all the existing data (i.e., all previous testing results of the same compound) has become an urgent need for the scientific community. We face more data storage, management, and modeling challenges in the current “big data” era. Our research aims to design and provide helpful cheminformatics tools to answer the above challenges. If you want more details about our ongoing research projects, please view our major projects below. We welcome all potential collaborators! Please view our major research projects below.