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Books in Computers and chemistry

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Innovations in Traditional Foods

  • 1st Edition
  • January 9, 2019
  • Charis M. Galanakis
  • English
  • Paperback
    9 7 8 - 0 - 1 2 - 8 1 4 8 8 7 - 7
  • eBook
    9 7 8 - 0 - 1 2 - 8 1 4 8 8 8 - 4
Innovations in Traditional Foods addresses the most relevant topics of traditional foods while placing emphasis on the introduction of innovations and consumer preferences. Certain food categories, such as fruits, grains, nuts, seeds, grains and legumes, vegetables, mushrooms, roots and tubers, table olives and olive oil, wine, fermented foods and beverages, fish, meat, milk and dairy products are addressed. Intended for food scientists, technologists, engineers and chemists working in food science, product developers, SMEs, researchers, academics and professionals, this book provides a reference supporting technological advances, product development improvements and potential positioning in the traditional food market.

Annual Reports in Computational Chemistry

  • 1st Edition
  • Volume 11
  • November 25, 2015
  • David A. Dixon
  • English
  • Hardback
    9 7 8 - 0 - 4 4 4 - 6 3 7 1 0 - 9
  • eBook
    9 7 8 - 0 - 4 4 4 - 6 3 6 8 2 - 9
Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists.

Open-Source Lab

  • 1st Edition
  • October 4, 2013
  • Joshua M. Pearce
  • English
  • Paperback
    9 7 8 - 0 - 1 2 - 4 1 0 4 6 2 - 4
  • eBook
    9 7 8 - 0 - 1 2 - 4 1 0 4 8 6 - 0
Open-Source Lab: How to Build Your Own Hardware and Reduce Scientific Research Costs details the development of the free and open-source hardware revolution. The combination of open-source 3D printing and microcontrollers running on free software enables scientists, engineers, and lab personnel in every discipline to develop powerful research tools at unprecedented low costs.After reading Open-Source Lab, you will be able to: Lower equipment costs by making your own hardware Build open-source hardware for scientific research Actively participate in a community in which scientific results are more easily replicated and cited

Computer-Based Medical Consultations: MYCIN

  • 1st Edition
  • November 14, 2012
  • Edward Shortliffe
  • English
  • eBook
    9 7 8 - 0 - 4 4 4 - 6 0 1 7 3 - 5
Computer-Based Medical Consultations: MYCIN focuses on MYCIN, a novel computer-based expert system designed to assist physicians with clinical decisions concerning the selection of appropriate therapy for patients with infections. It discusses medical computing, artificial intelligence, and the clinical problem areas for which the MYCIN program is designed, and it describes in detail how the MYCIN program helps physicians in making decisions. Comprised of seven chapters, this volume begins with an overview of MYCIN and the criteria used in its design. It then discusses data structures and control structures in the context of prior work regarding rule-based problem-solving, inferential model building and inexact reasoning in medicine. The book also explores MYCIN'S ability to answer questions with respect to its knowledge base and the details of a specific consultation, evaluation and future extensions of the MYCIN system, the limitations and accomplishments of MYCIN, and its contributions in artificial intelligence and computer-based medical decision making. This book is a valuable source of information for computer scientists and members of the medical community.

17th European Symposium on Computed Aided Process Engineering

  • 1st Edition
  • Volume 24
  • May 24, 2007
  • Valentin Plesu + 1 more
  • English
  • eBook
    9 7 8 - 0 - 0 8 - 0 5 4 6 3 1 - 5
The 17th European Symposium on Computed Aided Process Engineering contains papers presented at the 17th European Symposium of Computer Aided Process Engineering (ESCAPE 17) held in Bucharest, Romania, from 27-30 May 2007. The ESCAPE series serves as a forum for scientists and engineers from academia and industry to discuss progress achieved in the area of Computer Aided Process Engineering (CAPE). The main goal was to emphasize the continuity in research of innovative concepts and systematic design methods as well the diversity of applications emerged from the demands of sustainable development. ESCAPE 17 highlights the progresss software technology needed for implementing simulation based tools.The symposium is based on 5 themes and 27 topics, following the main trends in CAPE area: Modelling, Process and Products Design, Optimisation and Optimal Control and Operation, System Biology and Biological Processes, Process Integration and Sustainable Development. Participants from 50 countries attended and invited speakers presented 5 plenary lectures tackling broad subjects and 10 keynote lectures. Satellite events added a plus to the scientific dimension to this symposium.

Nonlinear Computer Modeling of Chemical and Biochemical Data

  • 1st Edition
  • January 24, 1996
  • James F. Rusling + 1 more
  • English
  • Hardback
    9 7 8 - 0 - 1 2 - 6 0 4 4 9 0 - 4
  • eBook
    9 7 8 - 0 - 0 8 - 0 5 3 7 6 8 - 9
Assuming only background knowledge of algebra and elementary calculus, and access to a modern personal computer, Nonlinear Computer Modeling of Chemical and Biochemical Data presents the fundamental basis and procedures of data modeling by computer using nonlinear regression analysis. Bypassing the need for intermediary analytical stages, this method allows for rapid analysis of highly complex processes, thereby enabling reliable information to be extracted from raw experimental data.By far the greater part of the book is devoted to selected applications of computer modeling to various experiments used in chemical and biochemical research. The discussions include a short review of principles and models for each technique, examples of computer modeling for real and theoretical data sets, and examples from the literature specific to each instrumental technique.The book also offers detailed tutorial on how to construct suitable models and a score list of appropriate mathematics software packages.

Scientific Computing and Automation (Europe) 1990

  • 1st Edition
  • Volume 6
  • December 17, 1990
  • E.J. Karjalainen
  • English
  • eBook
    9 7 8 - 0 - 0 8 - 0 8 6 8 3 3 - 2
This book comprises a large selection of papers presented at the second European Scientific Computing and Automation meeting (SCA 90 (Europe)) which was held in June 1990 in Maastricht, The Netherlands. The increasing use of computers for making measurements, interpreting data, and filing results brings a new unity to science. SCA concentrates on common computer-based tools which are useful in several disciplines. Practical problems in laboratory automation, robotics and information management with LIMS are covered in depth. The process of designing and acquiring a LIMS is described and standards for data transfer between instruments, between LIMS and instruments and between different LIMS are discussed. The applications of statistics and expert systems are covered in several chapters. Strategies for drug design are discussed with various practical examples. Finally the display of scientific results as images and computer-based animations is demonstrated by several examples with their color illustrations. The book should be of interest to those managing R&D projects, doing research in laboratories, acquiring or planning LIMS, designing instruments and laboratory automation systems and those involved in data analysis of scientific results.

PCs for Chemists

  • 1st Edition
  • Volume 5
  • February 1, 1990
  • J. Zupan
  • English
  • eBook
    9 7 8 - 0 - 0 8 - 0 8 6 8 3 2 - 5
The book first introduces the reader to the fundamentals of experimental design. Systems theory, response surface concepts, and basic statistics serve as a basis for the further development of matrix least squares and hypothesis testing. The effects of different experimental designs and different models on the variance-covariance matrix and on the analysis of variance (ANOVA) are extensively discussed. Applications and advanced topics (such as confidence bands, rotatability, and confounding) complete the text. Numerous worked examples are presented. The clear and practical approach adopted by the authors makes the book applicable to a wide audience. It will appeal particularly to those with a practical need (scientists, engineers, managers, research workers) who have completed their formal education but who still need to know efficient ways of carrying out experiments. It will also be an ideal text for advanced undergraduate and graduate students following courses in chemometrics, data acquisition and treatment, and design of experiments.

Advanced Scientific Computing in BASIC with Applications in Chemistry, Biology and Pharmacology

  • 1st Edition
  • Volume 4
  • January 1, 1989
  • P Valko + 1 more
  • English
  • eBook
    9 7 8 - 0 - 0 8 - 0 8 6 8 3 1 - 8
This book gives a practical introduction to numerical methods and presents BASIC subroutines for real-life computations in the areas of chemistry, biology, and pharmacology. The choice of BASIC as the programming language is motivated by its simplicity, its availability on all personal computers and by its power in data acquisition. While most of the scientific packages currently available in BASIC date back to the period of limited memory and speed, the subroutines presented here can handle a broad range of realistic problems with the power and sophistication needed by professionals and with simple, step-by-step instructions for students and beginners.Please note that a diskette containing the 37 program modules and 39 sample programs listed in the book is no longer available.The main task considered in the book is that of extracting useful information from measurements via modelling, simulation, and statistical data evaluations. Efficient and robust numerical methods have been chosen to solve related problems in numerical algebra, nonlinear equations and optimization, parameter estimation, signal processing, and differential equations. For each class of routines an introduction to the relevant theory and techniques is given, so that the reader will recognise and use the appropriate method for solving his or her particular problem. Simple examples illustrate the use and applicability of each method.

TRAC: Trends in Analytical Chemistry

  • 1st Edition
  • January 1, 1986
  • C. J. W. Brooks + 2 more
  • English
  • eBook
    9 7 8 - 1 - 4 8 3 2 - 7 4 5 9 - 1
Trends in Analytical Chemistry, Volume 5 focuses on the advancements of processes, technologies, automation, and applications of analytical chemistry. The selection first offers information on graphics programming for the IBM PC using FORTRAN, PASCAL, and C, including graphics hardware system software, assembly language routines, and high level interface. The text then elaborates on the place of affinity chromatography in the production and purification of biomolecules from cultured cells and zone electrophoresis in open-tubular capillaries. Discussions focus on column and instrument design, applications, affinity chromatography in protein production from cells, and economic aspects of production and purification of proteins from cell cultures. The manuscript takes a look at polarographic and voltammetric techniques and their application to the determination of vitamins and coenzymes and activation analysis with charged particles. Topics include accelerators, principle of charged particle activation analysis, and applications. The text then examines the development of microbiological and immunological assays for antibiotics and the use of computer system for a small analytical research laboratory. The book is a dependable reference for readers interested in the trends in analytical chemistry.