McKinnon, J. ThomasZhang, Zhiwei2023-08-072023-08-072003https://hdl.handle.net/11124/177662Includes bibliographical references (pages 154-157).doctoral dissertationsengCopyright of the original work is retained by the author.CheminformaticsChemical reactions -- Computer simulationChemistry -- DatabasesOpenchem workbench: an integrated chemical information system and its applicationText