Expert Systems In Chemistry Research

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 is currently the only book available on the development of knowledge-based, and related, expert systems in chemistry and toxicology. Written by a pioneer in the field, it shows how computers can work with qualitative information where precise numerical methods are not satisfactory. An underlying theme is the current concern in society about the conflicts between basing decisions on reasoned judgements and wanting precise decisions and measurable effectiveness. As well as explaining how the computer programs work, the book provides insights into how personal and political factors influence scientific progress. The introduction of regulations such as REACH in Europe and modifications to UN and OECD Guidelines on assessment of chemical hazard mean that the use of toxicity prediction is at a turning point. They put a heavy burden on the chemical industry but, for the first time, allow for the use of computer prediction to support or replace in vivo and in vitro experiments. There is increasing recognition among scientists and regulators that qualitative computer methods have much to offer and that in some circumstances they may be more reliable and informative than quantitative methods. This excellent introduction to a field where employment opportunities are growing is aimed at students, scientists and academics with a knowledge of chemistry.

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.

TRAC: Trends in Analytical Chemistry, Volume 9 provides information pertinent to the trends in the field of analytical chemistry. This book discusses a variety of topics related to analytical chemistry, including flow chemography, condensation polymers, sedimentary organic matter, nucleosides, and fuzzy expert systems. Organized into 43 parts encompassing 87 chapters, this volume begins with an overview of particle induced X-ray emission and its analytical applications. This text then discusses direct memory access data acquisition, which is an efficient method of collecting data from analytical instrumentation. Other chapters consider the application of flow injection analysis in industrial research laboratory. This book discusses as well the utilization of the time-of-flight mass spectroscopy method. The final chapter deals with brassinosteroids, a group of steroidal plant growth substances that possess B-ring lactone and two vicinal diols. This book is a valuable resource for analytical chemists, biochemists, molecular biologists, physicists, engineers, scientists, and researcher workers.

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