Expert Systems in Chemistry Research

Expert Systems in Chemistry Research
Author: Markus C. Hemmer
Publisher: CRC Press
Total Pages: 418
Release: 2007-12-13
Genre: Computers
ISBN: 1420053248

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

Knowledge-based Expert Systems in Chemistry

Knowledge-based Expert Systems in Chemistry
Author: Philip Judson
Publisher: Royal Society of Chemistry
Total Pages: 223
Release: 2009
Genre: Computers
ISBN: 0854041605

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.

Machine Learning in Chemistry

Machine Learning in Chemistry
Author: Edward O. Pyzer-Knapp
Publisher:
Total Pages: 140
Release: 2020-10-22
Genre: Science
ISBN: 9780841235052

Atomic-scale representation and statistical learning of tensorial properties -- Prediction of Mohs hardness with machine learning methods using compositional features -- High-dimensional neural network potentials for atomistic simulations -- Data-driven learning systems for chemical reaction prediction: an analysis of recent approaches -- Using machine learning to inform decisions in drug discovery : an industry perspective -- Cognitive materials discovery and onset of the 5th discovery paradigm.

Machine Learning in Chemistry

Machine Learning in Chemistry
Author: Hugh M. Cartwright
Publisher: Royal Society of Chemistry
Total Pages: 564
Release: 2020-07-15
Genre: Science
ISBN: 1788017897

Progress in the application of machine learning (ML) to the physical and life sciences has been rapid. A decade ago, the method was mainly of interest to those in computer science departments, but more recently ML tools have been developed that show significant potential across wide areas of science. There is a growing consensus that ML software, and related areas of artificial intelligence, may, in due course, become as fundamental to scientific research as computers themselves. Yet a perception remains that ML is obscure or esoteric, that only computer scientists can really understand it, and that few meaningful applications in scientific research exist. This book challenges that view. With contributions from leading research groups, it presents in-depth examples to illustrate how ML can be applied to real chemical problems. Through these examples, the reader can both gain a feel for what ML can and cannot (so far) achieve, and also identify characteristics that might make a problem in physical science amenable to a ML approach. This text is a valuable resource for scientists who are intrigued by the power of machine learning and want to learn more about how it can be applied in their own field.

Expert Systems In Developing Countries

Expert Systems In Developing Countries
Author: Charles K. Mann
Publisher: CRC Press
Total Pages: 298
Release: 2019-03-07
Genre: Science
ISBN: 0429695306

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 in Chemical Engineering

Artificial Intelligence in Chemical Engineering
Author: Thomas E. Quantrille
Publisher: Elsevier
Total Pages: 634
Release: 2012-12-02
Genre: Technology & Engineering
ISBN: 0080571212

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

Methods in Chemical Process Safety

Methods in Chemical Process Safety
Author:
Publisher: Academic Press
Total Pages: 454
Release: 2020-06-26
Genre: Technology & Engineering
ISBN: 0128218258

Methods in Chemical Process Safety, Volume Four focuses on the process of learning from experience, including elements of process safety management, human factors in the chemical process industries, and the regulation of chemical process safety, including current approaches. Users will find this book to be an informative tool and user manual for process safety for a variety of professionals with this new release focusing on Advanced Methods of Risk Assessment and Management, Logic Based Methods for Dynamic Risk Assessment, Bayesian Methods for Dynamic Risk Assessment, Data Driven Methods, Rare Event Risk Assessment, Risk Management and Multi Criteria, and much more. - Helps acquaint the reader/researcher with the fundamentals of process safety - Provides the most recent advancements and contributions on the topic from a practical point-of-view - Presents users with the views/opinions of experts in each topic - Includes a selection of authors who are leading researchers and/or practitioners for each given topic

Probabilistic Networks and Expert Systems

Probabilistic Networks and Expert Systems
Author: Robert G. Cowell
Publisher: Springer Science & Business Media
Total Pages: 340
Release: 2007-07-16
Genre: Computers
ISBN: 9780387718231

Probabilistic expert systems are graphical networks which support the modeling of uncertainty and decisions in large complex domains, while retaining ease of calculation. Building on original research by the authors, this book gives a thorough and rigorous mathematical treatment of the underlying ideas, structures, and algorithms. The book will be of interest to researchers in both artificial intelligence and statistics, who desire an introduction to this fascinating and rapidly developing field. The book, winner of the DeGroot Prize 2002, the only book prize in the field of statistics, is new in paperback.

TRAC: Trends in Analytical Chemistry

TRAC: Trends in Analytical Chemistry
Author: U A Th Brinkman
Publisher: Elsevier
Total Pages: 381
Release: 2013-09-17
Genre: Science
ISBN: 1483274705

TRAC: Trends in Analytical Chemistry, Volume 10 presents relevant topics in global analytical chemistry research. This book discusses the potential of flow injection analysis for water quality monitoring. Organized into 27 parts encompassing 67 chapters, this book begins with an overview of the amount of published information on analytical chemistry research. This text then examines the analytical technique in the electrophoretic separations in narrow bore tubes, which is capable of rapid, high-resolution separations of water-soluble components in small sample volumes. Other chapters consider the application of polynomial and B-spline interpolation to the description of cyclic voltammetric features. This book discusses as well the methods used to investigate the properties of ceramic high-transition-temperature superconductors. The final chapter deals with the importance of monitoring and protecting the environment based on measurement campaigns. This book is a valuable resource for analytical chemists, environmental chemists, and biochemists. Pharmacologists, scientists, students, researcher workers, and other practitioners will also find this book useful.

27th European Symposium on Computer Aided Process Engineering

27th European Symposium on Computer Aided Process Engineering
Author:
Publisher: Elsevier
Total Pages: 3064
Release: 2017-09-21
Genre: Technology & Engineering
ISBN: 0444639705

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