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              Books by Jurgen Bajorath

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              Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: Jurgen Bajorath
               

              Frontiers in Molecular Design and Chemical Information Science - Herman Skolnik Award Symposium 2015: Jurgen Bajorath (Hardback)

              Edited by Bienstock, Rachelle J.; Shanmugasundaram, Veerabahu; Bajorath, Jurgen

              • RRP: $246.99
              • $222.29
              • Save $24.70
              • To Order

              This book focuses on broadly defined areas of chemical information science- with special emphasis on chemical informatics- and computer-aided molecular design. The computational and cheminformatics methods discussed, and their application to drug discovery, are essential for sust...aining a viable drug development pipeline.
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              ISBN 9780841231412
              Released NZ 17 Jan 2018
              Publisher Oxford University Press (S1)
              Interest Age General Audience
              Series ACS Symposium Series
              Availability
              Indent title (internationally sourced), usually ships 4-6 weeks
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              Chemoinformatics and Computational Chemical Biology
                

              Chemoinformatics and Computational Chemical Biology (Hardback, 2011 ed.)

              By Bajorath, Jurgen

              • RRP: $835.50
              • $835.50
              • In Stock US

              Brings together a series of reviews and methods including, among others, system-directed approaches using small molecules, the design of target-focused compound libraries, the study of molecular selectivity, and the systematic analysis of target-ligand interactions.

              ISBN 9781607618386
              Released NZ 17 Sep 2010
              Publisher Humana Press Inc.
              Interest Age General Audience
              Series Methods in Molecular Biology
              Availability
              Internationally sourced; ships 6-12 working days
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              Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery
                

              Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Trade Paperback / Paperback, Softcover reprint of hardcover 1st ed. 2004)

              Edited by Bajorath, Jurgen

              • RRP: $605.99
              • $605.99
              • In Stock US

              Well-recognized pioneers and investigators from diverse professional environments survey the key concepts in the field, describe cutting-edge methods, and provide exemplary pharmaceutical applications. The authors explain the theory behind the crucial concepts of molecular simila...rity and diversity, describe the challenging efforts to use chemoinformatics approaches to virtual and high-throughput screening, and illuminate the latest developments in multidimensional QSAR analysis. Other topics of interest include the use of partitioning algorithms and classification methods for analyzing large compound databases, screening sets, and virtual screening for active molecules; different approaches to target class-specific library design; and the generation of a novel class of molecular surface properties descriptors that can be readily calculated from 2D representations of molecular structures. Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery illuminates the conceptual and methodological diversity of this rapidly evolving field and offers instructive examples of cutting-edge applications in the drug discovery process.
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              ISBN 9781617374593
              Released NZ 10 Nov 2010
              Publisher Humana Press Inc.
              Interest Age General Audience
              Series Methods in Molecular Biology
              Availability
              Internationally sourced; ships 6-12 working days
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              Chemoinformatics Approaches to Virtual Screening
               

              Chemoinformatics Approaches to Virtual Screening (Hardback)

              Edited by Varnek, Alexandre; Tropsha, Alex; Contributions by Zheng, Weifan; Bajorath, Jurgen; Johnson, Stephen R.

              • RRP: $608.99
              • $608.99
              • In Stock US

              Focuses on chemoinformatics approaches applicable to virtual screening of very large available collections of chemical compounds to identify novel biologically active molecules. This monograph is suitable for researchers in the area of computer-aided drug discovery.

              ISBN 9780854041442
              Released NZ 1 Sep 2008
              Publisher Royal Society of Chemistry
              Interest Age 19+ years
              Availability
              Internationally sourced; ships 6-12 working days
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              Chemoinformatics for Drug Discovery

              Chemoinformatics for Drug Discovery (Hardback)

              By Bajorath, Jurgen

              • RRP: $241.99
              • $241.99
              • To Order/ Indent titles

              The first guide to address the strengths, weaknesses, case studies, and applications of cheminformatics approaches to drug discovery, Chemoinformatics addresses how these in silico techniques are applied in both academic and industrial research environments.

              ISBN 9781118139103
              Released NZ 8 Nov 2013
              Publisher John Wiley & Sons Inc
              Interest Age General Audience
              Availability
              Indent title (sourced internationally), usually ships 4-6 weeks post release/order
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              Chemoinformatics: Theory, Practice, & Products
                

              Chemoinformatics: Theory, Practice, & Products (Paperback, Softcover reprint of hardcover 1st ed. 2007)

              By Bunin, Barry A.; Siesel, Brian; Morales, Guillermo; Bajorath, Jurgen

              • RRP: $657.99
              • $657.99
              • In Stock US

              Chemoinformatics is the use of information technology in the acquisition, analysis and management of data and information relating to chemical compounds and their properties.

              ISBN 9789048172504
              Released NZ 6 Nov 2010
              Publisher Springer
              Interest Age General Audience
              Availability
              Internationally sourced; ships 6-12 working days
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              Chemoinformatics: Theory, Practice, & Products
                

              Chemoinformatics: Theory, Practice, & Products (Hardback, 2007 ed.)

              By Bunin, Barry A.; Bajorath, Jurgen; Siesel, Brian; Morales, Guillermo

              • RRP: $723.99
              • $723.99
              • In Stock US

              Helps in determining the right Chemoinformatics method or technology to use. This book aims to provide computational scientists, medicinal chemists and biologists with practical information and the underlying theories relating to modern Chemoinformatics and related drug discovery... informatics technologies.
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              ISBN 9781402050008
              Released NZ 1 Jan 2007
              Publisher Springer-Verlag New York Inc.
              Interest Age 19+ years
              Availability
              Internationally sourced; ships 6-12 working days
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              Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery
                

              Chemoinformatics: Concepts, Methods, and Tools for Drug Discovery (Hardback, 2004 ed.)

              Edited by Bajorath, Jurgen

              • RRP: $605.99
              • $605.99
              • In Stock US

              authors describe a computational infrastructure to enable pharmaceutical researchers to efficiently access basic chemoinformatics tools and help in decision-making; text describes efforts to interface chemoinformatics approaches with high-throughput screening; provides an extensi...ve discussion of QSAR approaches.
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              ISBN 9781588292612
              Released NZ 12 May 2004
              Publisher Humana Press Inc.
              Interest Age 19+ years
              Series Methods in Molecular Biology
              Availability
              Internationally sourced; ships 6-12 working days
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