Expert systems chemical engineering

In chemistry and chemical engineering, expert systems are used for various tasks ranging from laboratory automation or reaction kinetics to the design of syntheses or the simulations of processes [24]. The application of expert systems in chemistry is described in more detail in Chapter IX, Section 2 of the Handbook,... 

G. Schembecker, Chemical Engineering Expert Systems, in Encyclopedia cf Computational Chemistry, P.v.R. Schleyer, N. L. AlUnger, T. Clark,... 

Ar icial Intelligence in Chemistry Chemical Engineering Expert Systems Environmental Chemistry QSAR Structwre and Substructure Searching Topological Indices. 

Artificial Intelligence in Chemistry Chemical Engineering Expert Systems Chemometrics Multivariate View on Chemical Problems Electrostatic Potentials Chemical Applications Environmental Chemistry QSAR Experimental Data Evaluation and Quality Control Fuzzy Methods in Chemistry Infrared Data Correlations with Chemical Structure Infrared Spectra Interpretation by the Characteristic Frequency Approach Machine Learning Techniques in Chemistry NMR Data Correlation with Chemical Structure Protein Modeling Protein Structure Prediction in ID, 2D, and 3D Quality Control, Data Analysis Quantitative Structure-Activity Relationships in Drug Design Quantitative Structure-Property Relationships (QSPR) Shape Analysis Spectroscopic Databases Structure Determination by Computer-based Spectrum Interpretation. 

Chemical Engineering Expert Systems Chemometrics Multivariate View on Chemical Problems Partial Least Squares Projections to Latent Structures (PLS) in Chemistry Quality Control, Data Analysis Spectroscopy Computational Methods Wave Packets. 

Implementation of an Expert System for On-Line Fault Diagnosis in a Commercial Scale Chemical Process Impact and Requirements of Knowledge-Based Software Expert Systems in the Pulp and Paper Industry ICI Process Engineering Expert Systems - Present and Future Development of a Diagnostic Expert System for a Whipped Toppings Process... 

CCPS G-36. Expert Systems in Process Safety. American Institute of Chemical Engineers, Center for Chemical Process Safety, New York. 

Expert systems represent a branch of artificial intelligence that has received enormous publicity in the last two to three years. Many companies have been formed to produce computer software for what is predicted to be a substantial market. This paper describes what is meant by the term expert system and the kinds of problems that currently appear amenable to solution by such systems. The physical sciences and engineering disciplines are areas for application that are receiving considerable attention. The reasons for this and several examples of recent applications are discussed. The synergism of scientists and engineers with machines supporting expert systems has important implications for the conduct of chemical research in the future some of these implications are described. 

Some Areas of Application. I next summarize some areas of application where expert systems exist or are being developed, usually by several laboratories. Some of these areas are covered in detail in other presentations as part of this symposium. I want to emphasize that this is a partial list primarily of scientific and engineering applications. A similar list could easily be generated for operations research, economics, law, and so forth. Some of the areas are outside strict definitions of the fields of chemistry and chemical engineering, but I have included them to illustrate the breadth of potential applications in related disciplines. 

For jobs that already require substantial skills, expert systems will serve to make the people holding these jobs more productive. An analogy has been made to engineers who used to calculate trajectories by hand, but now use computers to perform these routine tasks, thereby freeing their time for more intellectual pursuits. Chemists and chemical engineers will see similar improvements to their own productivity. 

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