With the great progress of combinatorial chemistry since the 1990s, large chemical libraries became the major source of modern drug discovery procedure. Over the past 10 years, this effort also stimulated the development of High Throughput Screening (HTS) techniques. The progress of chemical synthesis (e.g. synthesizing large chemical library) and testing methods (e.g. HTS) has advanced the cheminformatics research into a new stage. When a new compound is proposed for any specific studies, it may have been tested hundreds times by other research groups. How to gather and use all these existing knowledge (e.g. all previous testing result of the same compound) has become an urgent need for the scientific community. We are facing more challenges with data storage, management and eventually modeling in the current “big data” era. The mission of our research is to design and provide useful cheminformatics tools to answer the above challenges. If you feel interested in reading more details about my research projects, please view our current research projects by clicking the above drop down research projects and look at my recent papers.