Last edited by Moogushura
Tuesday, April 28, 2020 | History

5 edition of Computer-Aided Molecular Design found in the catalog.

Computer-Aided Molecular Design

Applications in Agrochemicals, Materials, and Pharmaceuticals (Acs Symposium Series)

by

  • 190 Want to read
  • 16 Currently reading

Published by An American Chemical Society Publication .
Written in English

    Subjects:
  • Atomic & molecular physics,
  • Computer aided design (CAD),
  • Industrial Chemistry & Manufacturing Technologies,
  • Science/Mathematics,
  • Literary Criticism,
  • Chemistry - Physical & Theoretical,
  • Agricultural Chemistry,
  • Pharmaceutical Chemistry,
  • Science,
  • Hellenic languages,
  • Design,
  • Computer simulation,
  • Agriculture - General,
  • Pharmacy,
  • Science / Chemistry / Physical & Theoretical,
  • Organic compounds,
  • Ancient and Classical,
  • Agrochemicals,
  • Congresses,
  • Drugs

  • Edition Notes

    ContributionsCharles H. Reynolds (Editor), M. Katharine Holloway (Editor), Harold K. Cox (Editor)
    The Physical Object
    FormatHardcover
    Number of Pages428
    ID Numbers
    Open LibraryOL8226875M
    ISBN 100841231605
    ISBN 109780841231603

    Journal of Computer-Aided Molecular Design, 32(3), [Springer Link] [Springer PDF] [BioRxiv Preprint] Sebastian Raschka () BioPandas: Working with molecular structures in pandas DataFrames. The Journal of Open Source Software


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Computer-Aided Molecular Design Download PDF EPUB FB2

The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a Computer-Aided Molecular Design book volume and using a language which may generally be understood by students or chemists with a.

The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. Key Features * Presents a comprehensive introduction to computer-aided molecular designCited by:   The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist.

However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a Book Edition: 1.

The Journal of Computer-Aided Molecular Design provides Computer-Aided Molecular Design book form for disseminating information on both the theory and the application of computer-based methods. Purchase Computer Aided Molecular Design, Volume 12 - 1st Edition.

Print Book & E-Book. ISBNAlberto Del Rio, Greta Varchi, in Epi-Informatics, Computer-Aided Molecular Design Computer-Aided Molecular Design book. Computer-aided drug design (CADD) techniques are used for the rapid assessment of chemical libraries in order to guide and speed up Computer-Aided Molecular Design book early-stage development of new active compounds.

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Download it once and read it on your Kindle device, PC, phones or tablets. Use features like bookmarks, note taking and highlighting while reading Computer Aided Molecular Design: Theory and Practice (ISSN Book 12).

While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently : Elsevier Science.

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Key Features; Presents a comprehensive introduction to computer-aided molecular design. This book mainly deals with macroscopic properties and therefore does not cover molecular design of large, complex chemicals such as drugs.

While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and. Computer-Aided Molecular Design: Fundamentals, Methods, and Applications 3 To protect the rights of the author(s) and publisher we inform you that this PDF is an uncorrected proof for internal business use only by the author(s), editor(s), reviewer(s), Elsevier and typesetter Size: 9MB.

Computer Aided Molecular Design (CAMD) refers to the design of molecules with desirable properties. Through CAMD, one determines molecules that match a specified set of (target) properties.

This book presents the theoretical aspects related to CAMD, the techniques that have been developed, and the different applications that have been reported. Molecular design software is software for molecular modeling, that provides special support for developing molecular models de novo.

In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including. Molecular graphics. Computer Aided Molecular Design: Theory and Practice (Computer Aided Chemical Engineering) Pdf, Download Ebookee Alternative Reliable Tips For A Best Ebook Reading Experience.

Chapter 1 Computer Aided Drug Design: An Overview 1 COMPUTER AIDED DRUG DESIGN: AN OVERVIEW Abstract In this chapter a brief introduction to the computer-aided drug design (CADD) methodologies is given.

The theoretical basis of CADD involves quantum mechanics and molecular modeling studies like structure based drug design; ligand-based drug. Vol Issue 1, January Special Issue: The next 25 years: Commemorating the 25th anniversary of the Journal of Computer-Aided Molecular Design ISSN:.

Journal of Computer-Aided Molecular Design. All Volumes & Issues. Vol Issue 1, January Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp Book Series; Protocols; Reference Works; Proceedings; Other Sites. ; SpringerProtocols; SpringerMaterials; AdisInsight.

Computer-Aided Molecular Design. Applications in Agrochemicals, Materials, and Pharmaceuticals Edited by C. Reynolds, M. Holloway, and H. Cox. American Chemical. Drug design, often referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target.

The drug is most commonly an organic small molecule that activates or inhibits the function of a biomolecule such as a protein, which in turn results in a therapeutic benefit to the patient. Drug design, sometimes referred to as rational drug design or simply rational design, is the inventive process of finding new medications based on the knowledge of a biological target.

The most fundamental goal in drug design is to predict whether a given molecule will bind to a target and if so how strongly. Molecular mechanics or molecular dynamics are most often used to predict the Author: Xia Wang, Federico Andreoli, Agnieszka A.

Kaczor, Fidele Ntie-Kang, Misagh Naderi, William R. Pitt. While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently unavailable.

Broad coverage of digital product creation, from design to manufacture and process optimization This book addresses the need to provide up-to-date coverage of current CAD/CAM usage and implementation. It covers, in one source, the entire design-to-manufacture process, reflecting the industry trend to further integrate CAD and CAM into a single, unified process.

It also updates the computer. chemical properties for computer-aided study and optimization of new ligands (candidate drug molecules in hypothesis).

This Book introduces in details the mathematical, biological, physical and. 3D Pharmacophore Modeling Techniques in Computer‐Aided Molecular Design Using LigandScout.

Thomas Seidel. Search for more papers by this author. Book Editor(s): Alexandre Varnek. become increasingly popular in the last decades and matured to a valuable and efficient basis for a wide variety of computer‐aided drug design projects Cited by: 3.

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Computer-Aided Molecular Design: Applications in Agrochemicals, Materials and Pharmaceuticals Edited by C. Reynolds (Rohm and Haas Company), M. Holloway (Merck Research Laboratories), H. Cox (Zeneca Ag Products). American Chemical Society, Washington, DC.

x + pp. 15 × cm. $ ISBN David R. LangleyAuthor: David R. Langley. The identification of improved carbon dioxide (CO 2) capture solvents remains a challenge due to the vast number of potentially-suitable propose an optimization-based computer-aided molecular design (CAMD) method to identify and select, from hundreds of thousands of possibilities, a few solvents of optimum performance for CO 2 chemisorption processes, as measured by a.

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This work presents a framework for the efficient assessment of pure and mixed post‐combustion CO 2 capture solvents using a Computer‐aided Molecular Design approach (CAMD). Pure amine solvents are designed using appropriate molecular properties as performance criteria in an optimization‐based CAMD approach, reflecting the effects of the solvent thermodynamic and reactivity Author: Athanasios I.

Papadopoulos, Theodoros Zarogiannis, Panos Seferlis. Computer-aided molecular design Oyez Scientific & Technical Sciences, £ (vi + pages) ISBN 0 3Author: Anthony C.T. North. Insight into the Key Structural Features of Potent Enoyl Acyl Carrier Protein Reductase Inhibitors Based on Computer Aided Molecular Design, Drug Development - A Case Study Based Insight into Modern Strategies, Chris Rundfeldt, IntechOpen, DOI: / Available from:Author: Auradee Punkvang, Pharit Kamsri, Kodchakon Kun-asa, Patchreenart Saparpakorn, Supa Hannongbua, Peter.

Content: Current approaches in computer-aided molecular design / Bruce R. Gelin --Molecular modeling and quantitative structure-activity relationship studies in pursuit of highly potent substituted octanoamide angiotensin II receptor antagonists / Donald B.

Boyd, Alan D. Palkowitz, K. Jeff Thrasher, Kenneth L. Hauser, Celia A. Whitesitt, Jon K. Reel, Richard L. Simon, William Pfeifer, Sherryl. The pitfalls and successes of CADD are described, and the book is a very useful introduction to the subject.

Marine Chemistry, Volume 3-Edited by P. Springer, Berlin. Book Description. Optimize Designs in Less Time. An essential element of equipment and system design, computer aided design (CAD) is commonly used to simulate potential engineering problems in order to help gauge the magnitude of their effects.

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