Achievement

A continuing research focus of UCR's ChemGen IGERT program is the development and improvement of the ChemMine database for chemi-informatics research (http://bioweb.ucr.edu/ChemMineV2/). This tool is useful for the analysis compounds with biological activity in any organism. Recent improvements increase ChemMine's functionality and performance. IGERT Associate Cao, Tyler Backman Dr. Thomas Girke quadrupled ChemMine's functions and enhanced its user interface. These advances will be published in a Nucleic Acids Research article entitled, 'ChemMine Tools: an online service for analyzing and clustering small molecules.' The new package introduces a fully object-oriented method and data model by adopting R's S4 class system throughout the entire infrastructure. Workshops regularly held on the use of ChemMine are attended by IGERT fellows, other UCR researchers, national and international collaborators. Over 60% of IGERT trainees use ChemMine on a regular basis to advance their research.