Hemmer M.C. Expert Systems in Chemistry Research

CRC Press, 2008. — 418 p.Expert systems allow scientists to better access, manage, and apply data and specialized knowledge from various disciplines to their own research. Focusing on one of the newest areas in chemistry, the book covers the scientific and computational principles behind expert systems and illustrates how they can improve laboratory workflows and support decision-making processes. It highlights current capabilities for planning and monitoring experiments, data management and interpretation, chemical characterization, and problem solving. It offers practical strategies for encoding chemical data and discusses the challenges of integrating expert systems into existing laboratory software and instrumentation.