Chemistry intelligence systems

An artificial intelligence system for the chemistry of a fossil once-through steam system has been constructed. It is based on on-line monitors. It diagnoses both sensor and plant malfunction and removes malfunctioning sensors from diagnosis of plant malfunctions. The system has been tested off-line using real and synthesized power plant data and is now ready for testing in a plant. 

Application Controller The central controller of the system workflow. Chemistry Intelligence Objects that implement chemistry business rules and salt handling logic. 

One critical task of any compound registration system is to make sure molecular structures are compliant with chemistry conventions. This ensures consistent representations of molecular structures in the database so that structure searches can find, and only find, the right compounds. Although different organizations may have slightly different conventions, the following ones are some of the most common that the Chemistry Intelligence API takes care of. 

Artificial intelligence systems (see Artificial Intelligence in Chemistry) for synthesis design use canonical codes and constitutional symmetry information to generate and evaluate reaction paths (see Synthesis Design). 

Tooru Ooya, School of Materials Science, Japan Advanced Institute of Science and Technology, 1-1 Asahidai, Nomi, Ishikawa 923-1292, Japan, Department of Intelligent System Design Engineering, Toyama Prefectural University, 5180 Kurokawa Imizu, Toyama 939-0398, Japan Joon Woo Park, Department of Chemistry, Ewha Womans University, Seoul 120 750, Republic of Korea... 

T.F. Niemann, M.E. Koehler, and T. Provder, "Microcomputers Used as Laboratory Instrument Controllers and Intelligent Interfaces to a Minicomputer Timesharing System," in Personal Computers in Chemistry> p- Lykos, Ed,... 

Analytical chemistry in the new millennium will continue to develop greater degrees of sophistication. The use of automation, especially involving robots, for routine work will increase and the role of ever more powerful computers and software, such as intelligent expert systems, will be a dominant factor. Extreme miniaturisation of techniques (the analytical laboratory on a chip ) and sensors designed for specific tasks will make a big impact. Despite such advances, the importance of, and the need for, trained analytical chemists is set to continue into the foreseeable future and it is vital that universities and colleges play a full part in the provision of relevant courses of study. 

Most of the applications of artificial intelligence in chemistry so far have not involved numerical computation as a primary goal. Yet there are aspects of the AI approach to problem-solving which have relevance to computation. In scientific computation, one could view the knowledge base as the set of equations, input variable values, and unit conversions relevant to the problem, and the inference engine the numerical method used to solve the equations. This paper describes such a software system,... 

Niemann, T. F. Koehler, M. E. Provder, T. "Microcomputers used as Laboratory Instrument Controllers and Intelligent Interfaces to a Minicomputer Timesharing System" in "Persona] Computers in Chemistry" Lykos, P., Ed. John Wiley and Sons New York, 1981 pp. 85-91. 

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