Genetic Algorithms In Molecular Modeling

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Author: James Devillers
Publisher: Academic Press
ISBN: 0080532381
Size: 62.95 MB
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Genetic Algorithms In Molecular Modeling by James Devillers


Original Title: Genetic Algorithms In Molecular Modeling

Genetic Algorithms in Molecular Modeling is the first book available on the use of genetic algorithms in molecular design. This volume marks the beginning of an ew series of books, Principles in Qsar and Drug Design, which will be an indispensible reference for students and professionals involved in medicinal chemistry, pharmacology, (eco)toxicology, and agrochemistry. Each comprehensive chapter is written by a distinguished researcher in the field. Through its up to the minute content, extensive bibliography, and essential information on software availability, this book leads the reader from the theoretical aspects to the practical applications. It enables the uninitiated reader to apply genetic algorithms for modeling the biological activities and properties of chemicals, and provides the trained scientist with the most up to date information on the topic. . Extremely topical and timely . Sets the foundations for the development of computer-aided tools for solving numerous problems in QSAR and drug design . Written to be accessible without prior direct experience in genetic algorithms

Molecular Modeling Of Nucleic Acids

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Author: Neocles B. Leontis
Publisher: Amer Chemical Society
ISBN:
Size: 25.67 MB
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Molecular Modeling Of Nucleic Acids by Neocles B. Leontis


Original Title: Molecular Modeling Of Nucleic Acids

Covering numerous topics in modeling nucleic acids, this volume looks at the role of various spectroscopic methods, simulations of molecular dynamics using particle mesh methods, and dynamic and genetic algorithms for predicting RNA secondary structure. It also covers the thermodynamics of nucleic acid folding and three-dimensional structure prediction based on sequence information.

An Introduction To Genetic Algorithms

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Author: Melanie Mitchell
Publisher: MIT Press
ISBN: 9780262631853
Size: 19.55 MB
Format: PDF, ePub, Mobi
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An Introduction To Genetic Algorithms by Melanie Mitchell


Original Title: An Introduction To Genetic Algorithms

Genetic algorithms are used in science and engineering for problem solving and as computational models. This brief introduction enables readers to implement and experiment with genetic algorithms on their own. The descriptions of applications and modeling projects stretch beyond the boundaries of computer science to include systems theory, game theory, biology, ecology, and population genetics. 20 illustrations.

Predicting Chemical Toxicity And Fate

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Author: Mark T.D. Cronin
Publisher: CRC Press
ISBN: 9780203642627
Size: 60.11 MB
Format: PDF
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Predicting Chemical Toxicity And Fate by Mark T.D. Cronin


Original Title: Predicting Chemical Toxicity And Fate

Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the harmful effects of chemicals to humans and the environment. The increased use of these methods in a variety of areas (academic, industrial, regulatory) results from a realization that very little toxicological or fate data is available on the vast amount of chemicals to which humans and the environment are exposed. Predicting Chemical Toxicity and Fate provides a comprehensive explanation of the state-of-the-art methods that are available to predict the effects of chemicals on humans and the environment. It describes the use of predictive methods to estimate the physiochemical properties, biological activities, and fate of chemicals. The methods described may be used to predict the properties of drugs before their development, and to predict the environmental effects of chemicals. These methods also reduce the cost of product development and the need for animal testing. This book fills an obvious need by providing a comprehensive explanation of these prediction methods. It is a practical book that illustrates the use of these techniques in real life scenarios. This book will demystify QSARs for those students unsure of them, and professionals in environmental toxicology and chemistry will find this a useful reference in their everyday working lives.

Methods And Algorithms For Molecular Docking Based Drug Design And Discovery

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Author: Dastmalchi, Siavoush
Publisher: IGI Global
ISBN: 1522501169
Size: 25.15 MB
Format: PDF, Mobi
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Methods And Algorithms For Molecular Docking Based Drug Design And Discovery by Dastmalchi, Siavoush


Original Title: Methods And Algorithms For Molecular Docking Based Drug Design And Discovery

The role of technology in the medical field has resulted in significant developments within the pharmaceutical industry. Computational approaches have emerged as a crucial method in further advancing drug design and development. Methods and Algorithms for Molecular Docking-Based Drug Design and Discovery presents emerging research on the application of computer-assisted design methods for drugs, emphasizing the benefits and improvements that molecular docking has caused within the pharmaceutical industry. Focusing on validation methods, search algorithms, and scoring functions, this book is a pivotal resource for professionals, researchers, students, and practitioners in the field of theoretical and computational chemistry.

Adaptive Systems In Drug Design

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Author: Gisbert Schneider
Publisher: CRC Press
ISBN:
Size: 30.68 MB
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Adaptive Systems In Drug Design by Gisbert Schneider


Original Title: Adaptive Systems In Drug Design

A brief history of drug design presented to make clear that there are fashions in this important field and that they change rather rapidly. This is due in part to the fact that the way that a new paradigm is accepted in a drug company often does not depend on its scientific merit alone.

Proceedings Of The 8th International Conference On Foundations Of Computer Aided Process Design

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Author:
Publisher: Elsevier
ISBN: 0444634428
Size: 77.81 MB
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View: 2011

Proceedings Of The 8th International Conference On Foundations Of Computer Aided Process Design by


Original Title: Proceedings Of The 8th International Conference On Foundations Of Computer Aided Process Design

This volume collects together the presentations at the Eighth International Conference on Foundations of Computer-Aided Process Design, FOCAPD-2014, an event that brings together researchers, educators, and practitioners to identify new challenges and opportunities for process and product design. The chemical industry is currently entering a new phase of rapid evolution. The availability of low-cost feedstocks from natural gas is causing renewed investment in basic chemicals in the OECD, while societal pressures for sustainability and energy security continue to be key drivers in technology development and product selection. This dynamic environment creates opportunities to launch new products and processes and to demonstrate new methodologies for innovation, synthesis and design. FOCAPD-2014 fosters constructive interaction among thought leaders from academia, industry, and government and provides a showcase for the latest research in product and process design. Focuses exclusively on the fundamentals and applications of computer-aided design for the process industries. Provides a fully archival and indexed record of the FOCAPD14 conference Aligns the FOCAPD series with the ESCAPE and PSE series

Applications Of Evolutionary Computation In Chemistry

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Author: Roy L. Johnston
Publisher: Springer Science & Business Media
ISBN: 9783540402589
Size: 42.17 MB
Format: PDF, ePub, Docs
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Applications Of Evolutionary Computation In Chemistry by Roy L. Johnston


Original Title: Applications Of Evolutionary Computation In Chemistry

H. M. Cartwright: An Introduction to Evolutionary Computation andEvolutionary Algorithms; B. Hartke: Application of Evolutionary Algorithms to Global Cluster Geometry Optimization; K.D.M. Harris, R.L. Johnston, S. Habershon: Application of Evolutionary Computation in Structure Solution from Diffraction Data; S. M.

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