Knowledge Based Expert Systems In Chemistry

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Knowledge Based Expert Systems In Chemistry

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Author : Philip Judson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2019-02-07

Knowledge Based Expert Systems In Chemistry written by Philip Judson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-02-07 with Science categories.

There have been significant developments in the use of knowledge-based expert systems in chemistry since the first edition of this book was published in 2009. This new edition has been thoroughly revised and updated to reflect the advances. The underlying theme of the book is still the need for computer systems that work with uncertain or qualitative data to support decision-making based on reasoned judgements. With the continuing evolution of regulations for the assessment of chemical hazards, and changes in thinking about how scientific decisions should be made, that need is ever greater. Knowledge-based expert systems are well established in chemistry, especially in relation to toxicology, and they are used routinely to support regulatory submissions. The effectiveness and continued acceptance of computer prediction depends on our ability to assess the trustworthiness of predictions and the validity of the models on which they are based. Written by a pioneer in the field, this book provides an essential reference for anyone interested in the uses of artificial intelligence for decision making in chemistry.

Expert Systems In Chemistry Research

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Author : Markus C. Hemmer
language : en
Publisher: CRC Press
Release Date : 2007-12-13

Expert Systems In Chemistry Research written by Markus C. Hemmer and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-13 with Computers categories.

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

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Author : Philip Judson
language : en
Publisher: Royal Society of Chemistry
Release Date : 2009

Knowledge Based Expert Systems In Chemistry written by Philip Judson and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Computers categories.

This excellent introduction to a growing area of computing in chemistry will interest students, scientists and academics.

Food Chemical Risk Analysis

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Author : David R. Tennant
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Food Chemical Risk Analysis written by David R. Tennant and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Technology & Engineering categories.

Food Chemical Risk Analysis provides an introduction to the sciences of food chemistry and risk analysis and demonstrates how the potential hazards associated with food chemicals can be assessed and managed. Food scares are never far from the news and particular attention is therefore focused on the consumer perception of risk and risk communication. Leading international experts provide unique insights in the future of food chemical risk analysis. Chapters on alternatives to animal testing show how emerging methods offer the prospect of a more rational human-based approach to toxicity testing. Discussions about relative risks and protective factors highlight the possibility that risks from food can be over-estimated and approaches to avoid such risks are proposed. The science of risk management is presented as more than just a method for translating science into policy by demonstrating how social, psychological, economic ethical and other factors can, and shouldbe taken into account. The book makes it clear that if risk communication is to be effective, an integrated approach to risk analysis must be adopted.

Intelligent Software For Chemical Analysis

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Author : L.M.C. Buydens
language : en
Publisher: Elsevier
Release Date : 1993-09-03

Intelligent Software For Chemical Analysis written by L.M.C. Buydens and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1993-09-03 with Science categories.

Various emerging techniques for automating intelligent functions in the laboratory are described in this book. Explanations on how systems work are given and possible application areas are suggested. The main part of the book is devoted to providing data which will enable the reader to develop and test his own systems. The emphasis is on expert systems; however, promising developments such as self-adaptive systems, neural networks and genetic algorithms are also described. The book has been written by chemists with a great deal of practical experience in developing and testing intelligent software, and therefore offers first-hand knowledge. Laboratory staff and managers confronted with commercial intelligent software will find information on the functioning, possibilities and limitations thereof, enabling them to select and use modern software in an optimum fashion. Finally, computer scientists and information scientists will find a wealth of data on the application of contemporary artificial intelligence techniques.

Handbook Of Pharmaceutical Granulation Technology

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Author : Dilip M. Parikh
language : en
Publisher: CRC Press
Release Date : 2021-05-11

Handbook Of Pharmaceutical Granulation Technology written by Dilip M. Parikh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-11 with Medical categories.

This fully revised edition of Handbook of Pharmaceutical Granulation Technology covers the rapid advances in the science of agglomeration, process control, process modelling, scale-up, emerging particle engineering technologies, along with current regulatory changes presented by some of the prominent scientist and subject matter experts around the globe. Learn from more than 50 global subject matter experts who share their years of experience in areas ranging from drug delivery and pharmaceutical technology to advances in nanotechnology. Every pharmaceutical scientist should own a copy of this fourth edition resource. Key Features: Theoretical discussions covering granulation and engineering perspectives. Covers new advances in expert systems, process modelling and bioavailability Chapters on emerging technologies in particle engineering Updated Current research and developments in granulation technologies

Exploration On Quantum Chemical Potential Energy Surfaces

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Author : Koichi Ohno
language : en
Publisher: Royal Society of Chemistry
Release Date : 2022-12-12

Exploration On Quantum Chemical Potential Energy Surfaces written by Koichi Ohno and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-12-12 with Science categories.

Written chemical formulas, such as C2H6O, can tell us the constituent atoms a molecule contains but they cannot differentiate between the possible geometrical arrangements (isomers) of these models. Yet the chemical properties of different isomers can vary hugely. Therefore, to understand the world of chemistry we need to ask what kind of isomers can be produced from a given atomic composition, how are isomers converted into each other, how do they decompose into smaller pieces, and how can they be made from smaller pieces? The answers to these questions will help us to discover new chemistry and new molecules. A potential energy surface (PES) describes a system, such as a molecule, based on geometrical parameters. The mathematical properties of the PES can be used to calculate probable isomer structures as well as how they are formed and how they might behave. Exploration on Quantum Chemical Potential Energy Surfaces focuses on the PES search based on quantum chemical calculations. It describes how to explore the chemical world on PES, discusses fundamental methods and specific techniques developed for efficient exploration on PES, and demonstrates several examples of the PES search for chemical structures and reaction routes.

Oecd Series On Testing And Assessment Guidance Document On The Validation Of Quantitative Structure Activity Relationship Q Sar Models

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Author : OECD
language : en
Publisher: OECD Publishing
Release Date : 2014-09-03

Oecd Series On Testing And Assessment Guidance Document On The Validation Of Quantitative Structure Activity Relationship Q Sar Models written by OECD and has been published by OECD Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-03 with categories.

This document presents principles and helpful guides for validating (Q)SAR technology for a variety of applications.

Artificial Intelligence For Chemical Sciences

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Author : Shrikaant Kulkarni
language : en
Publisher: CRC Press
Release Date : 2025-05-09

Artificial Intelligence For Chemical Sciences written by Shrikaant Kulkarni and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-09 with Computers categories.

Chemists are increasingly employing artificial intelligence (AI) for diversified applications. This new volume explores the use of AI and its various computer-aided applications for the design of new drugs and chemical products, for toxicity prediction and biodegradation, and for fault diagnosis in chemical processing plants. The volume explores knowledge and reasoning-based approaches of the field of chemintelligence to make predictions about the right molecules with given structures and properties as precursors or starting materials, reaction pathways, reaction conditions, improvement in reaction efficiency and selectivity, toxicity, metabolism, biodegradation, and more.

Computers In Analytical Chemistry

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Author : R Belcher
language : en
Publisher: Elsevier
Release Date : 2013-10-22

Computers In Analytical Chemistry written by R Belcher and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-10-22 with Science categories.

This text is primarily intended for readers who have some background in chemistry and who wish to find out more about the ways in which computers and electronics are influencing the techniques of observing chemical systems, the acquisition of data, its storage, and its transmission from one location to another. Many important concepts - such as interfacing, data collection, data bases, information services and computer networks - are covered in an easily assimilated and comprehensive way.