Expert systems allow scientists to access, manage, and apply data and specialized knowledge from various disciplines to their own research. Expert Systems in Chemistry Research explains the general scientific basis and computational principles behind expert systems and demonstrates how they can improve the efficiency of scientific workflows

This book is about the development of knowledge-based, and related, expert systems in chemistry and toxicology. It shows how computers can work with qualitative information where precise numerical methods are not satisfactory.

This book focuses on the pioneering applications of an expert system in development relate to agriculture in many of the developing countries, introducing the reader to some of the key concepts underlying most expert systems.

Artificial intelligence (AI) is the part of computer science concerned with designing intelligent computer systems (systems that exhibit characteristics we associate with intelligence in human behavior). This book is the first published textbook of AI in chemical engineering, and provides broad and in-depth coverage of AI programming, AI principles, expert systems, and neural networks in chemical engineering. This book introduces the computational means and methodologies that are used to enable computers to perform intelligent engineering tasks. A key goal is to move beyond the principles of AI into its applications in chemical engineering. After reading this book, a chemical engineer will have a firm grounding in AI, know what chemical engineering applications of AI exist today, and understand the current challenges facing AI in engineering. - Allows the reader to learn AI quickly using inexpensive personal computers - Contains a large number of illustrative examples, simple exercises, and complex practice problems and solutions - Includes a computer diskette for an illustrated case study - Demonstrates an expert system for separation synthesis (EXSEP) - Presents a detailed review of published literature on expert systems and neural networks in chemical engineering

This book is written for software engineers, software project leaders, and software managers who would like to introduce a new advanced software technology, expert systems, into their product. Expert system technology brings into programming a new dimension in which "rule of thumb" or heuristic expert knowledge is encoded in the program. In contrast to conventional procedural languages {e. g. , Fortran or C}, expert systems employ high-level programming languages {Le. , expert system shells} that enable us to capture the judgmental knowledge of experts such as geologists, doctors, lawyers, bankers, or insurance underwriters. Past expert systems have been more successfully applied in the problem areas of analysis and synthesis where the boundary of lo;nowledge is well defined and where experts are available and can be identified. Early successful applications include diagnosis systems such as MYCIN, geological systems such as PROSPECTOR, or design/configu ration systems such as XC ON. These early expert systems were mainly applicable to scientific and engineering problems, which are not theoreti cally well understood in terms of decisionmaking processes by their experts and which therefore require judgmental assessment. The more recent expert systems are being applied to sophisticated synthesis problems that involve a large number of choices, such as how the elements are to be compared. These problems normally entailed a large search space and slower speed for the expert systems designed. Examples of these systems include factory scheduling applications such as ISIS, or legal reasoning applications such as TAXMAN.

27th European Symposium on Computer Aided Process Engineering, Volume 40 contains the papers presented at the 27th European Society of Computer-Aided Process Engineering (ESCAPE) event held in Barcelona, October 1-5, 2017. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students, and consultants for chemical industries. - Presents findings and discussions from the 27th European Society of Computer-Aided Process Engineering (ESCAPE) event

Computer Chemistry illustrates the methods and philosophies of how a computer can be instructed to "understand" chemical facts, formulas and rules. It focuses on discussions of all of the major sections in both theoretical framework and practical application through examples. It includes the Synthesis Design Systems for the simulation of chemical reactions, the Structure Elucidation Systems for the interpretation of spectral data, the Molecular Modelling Systems for the visualization of chemical structures and the calculation of physico-chemical parameters.

This volume demonstrates how chemical problems can be solved through the use of expert systems, programs that attempt to solve problems the same way a human expert would. Its 18 chapters offer a discussion of advanced prototypes and how they were constructed, along with a wide range of expert systems that are being used to solve chemical problems. Three main sections cover general chemical applications, industrial applications, and analytical chemistry applications. Of special interest is a brief glossary in the first chapter that aids in reading the rest of the book.