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10 results for "Cheminformatics"
Introducing Cheminformatics By David Wild
eBook (PDF): $9.95
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This guide gives an intensive introduction to the emerging field of cheminformatics, including the history of the field, representing 2D and 3D chemical structures on computer, storing and using... More > databases of chemical and related biological information, handling chemical information on the web and in the scholarly literature, and giving an overview of some advanced topics such as clustering and diversity, QSAR and predictive modeling, 3D alignment and docking, and software toolkits cheminformatics software. It is aimed at life scientists and computer scientists in both industry and academia who need a rapid, flexible introduction to this field. The author has over 20 years experience in the field of cheminformatics, and is currently an Assistant Professor in the Indiana University School of Informatics and Computing where he directs one of the few educational programs dedicated to cheminformatics. He is also joint editor of the Journal of Cheminformatics.< Less
Introducing Cheminformatics Corporate Version By David Wild
eBook (PDF): $180.00
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This guide gives an intensive introduction to the emerging field of cheminformatics, including the history of the field, representing 2D and 3D chemical structures on computer, storing and using... More > databases of chemical and related biological information, handling chemical information on the web and in the scholarly literature, and giving an overview of some advanced topics such as clustering and diversity, QSAR and predictive modeling, 3D alignment and docking, and software toolkits cheminformatics software. It is aimed at life scientists and computer scientists in both industry and academia who need a rapid, flexible introduction to this field. The author has over 20 years experience in the field of cheminformatics, and directs one of the few educational programs in cheminformatics at Indiana University. This is the corporate version. It may be used freely and indefinitely by members of a purchasing company. It may be placed on intranets and IP-restricted websites< Less
Introducing Cheminformatics Academic Library Version By David Wild
eBook (PDF): $125.00
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This guide gives an intensive introduction to the emerging field of cheminformatics, including the history of the field, representing 2D and 3D chemical structures on computer, storing and using... More > databases of chemical and related biological information, handling chemical information on the web and in the scholarly literature, and giving an overview of some advanced topics such as clustering and diversity, QSAR and predictive modeling, 3D alignment and docking, and software toolkits cheminformatics software. It is aimed at life scientists and computer scientists in both industry and academia who need a rapid, flexible introduction to this field. The author has over 20 years experience in the field of cheminformatics, and directs one of the few educational programs in cheminformatics at Indiana University. This is the academic library version. It may be used freely and indefinitely by members of a purchasing academic institution including students. It may be placed on intranets and IP-restricted websites.< Less
Groovy Cheminformatics with the Chemistry Development Kit By Egon Willighagen
eBook (PDF): $34.99
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This book introduces the reader to the wide variety of functionality available in the Chemistry Development Kit (CDK) library. It uses the Groovy programming language that closely resembles Java... More > source code. The book discusses parts of the data model, basic cheminformatics algorithms, chemical file formats, etc. It discusses bits of chemical graph theory, computer representation, etc. But the goal of this book is not to provide an introduction into cheminformatics. However, this book does require a basic chemical education. It assumes that you know what atoms and bonds are, and some basic computer knowledge. This book is about learning how to perform cheminformatics tasks using the CDK. To keep the required knowledge to a minimum, the examples will be pretty verbose. The source code for these examples is available upon request with the author to readers of the book.< Less
Groovy Cheminformatics with the Chemistry Development Kit By Egon Willighagen
Paperback: $44.90
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This book introduces the reader to the wide variety of functionality available in the Chemistry Development Kit (CDK) library. It uses the Groovy programming language that closely resembles Java... More > source code. The book discusses parts of the data model, basic cheminformatics algorithms, chemical file formats, etc. It discusses bits of chemical graph theory, computer representation, etc. But the goal of this book is not to provide an introduction into cheminformatics. However, this book does require a basic chemical education. It assumes that you know what atoms and bonds are, and some basic computer knowledge. This book is about learning how to perform cheminformatics tasks using the CDK. To keep the required knowledge to a minimum, the examples will be pretty verbose. The source code for these examples is available upon request with the author to readers of the book.< Less
Open Babel By Open Babel developers
eBook (PDF): $0.00
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This is the official user guide for the Open Babel package. It can also be accessed online or download as a PDF at http://openbabel.org.
Open Babel By Open Babel developers
Paperback: $9.18
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This is the official user guide for the Open Babel package. It can also be accessed online or download as a PDF at http://openbabel.org.
Machine-Learning based sequence analysis, bioinformatics & nanopore transduction detection By Stephen Winters-Hilt
Hardcover: List Price: $137.00 $95.90 You Save: 30%
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This is intended to be a simple and accessible book on machine learning methods and their application in computational genomics and nanopore transduction detection. This book has arisen from eight... More > years of teaching one-semester courses on various machine-learning, cheminformatics, and bioinformatics topics. The book begins with a description of ad hoc signal acquisition methods and how to orient on signal processing problems with the standard tools from information theory and signal analysis. A general stochastic sequential analysis (SSA) signal processing architecture is then described that implements Hidden Markov Model (HMM) methods. Methods are then shown for classification and clustering using generalized Support Vector Machines, for use with the SSA Protocol, or independent of that approach. Optimization metaheuristics are used for tuning over algorithmic parameters throughout. Hardware implementations and short code examples of the various methods are also described.< Less
Abstracts of the 11th Electronic Computational Chemistry Conference By Robert Q. Topper and Olga Dmitrenko
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ECCC11 was held April 2-30 2007, entirely on the Internet, at http://eccc.monmouth.edu. As with the previous ten ECCCs, ECCC11 had NO registration fees and was a completely virtual, online... More > conference. The ECCC is a multidisciplinary, international conference and spans all aspects of computational and theoretical chemistry and materials science, as well as molecular biology, molecular and atomic physics, visualization, cheminformatics, the history of computational chemistry, computational chemistry and education, and all related fields. Participants were able to view the presentations and discuss them entirely through a web browser. Abstracts for all contributions to ECCC11 were peer-reviewed to insure novelty, scientific value, and appropriateness for inclusion in the conference. Outstanding presentations were considered for special recognition based on their scientific merit and originality, and for high-quality integration of multimedia techniques in the presentation.< Less
Abstracts of the 11th Electronic Computational Chemistry Conference By Robert Q. Topper and Olga Dmitrenko
Paperback: $9.70
Ships in 3-5 business days
ECCC11 was held April 2-30 2007, entirely on the Internet, at http://eccc.monmouth.edu. As with the previous ten ECCCs, ECCC11 had NO registration fees and was a completely virtual, online... More > conference. The ECCC is a multidisciplinary, international conference and spans all aspects of computational and theoretical chemistry and materials science, as well as molecular biology, molecular and atomic physics, visualization, cheminformatics, the history of computational chemistry, computational chemistry and education, and all related fields. Participants were able to view the presentations and discuss them entirely through a web browser. Abstracts for all contributions to ECCC11 were peer-reviewed to insure novelty, scientific value, and appropriateness for inclusion in the conference. Outstanding presentations were considered for special recognition based on their scientific merit and originality, and for high-quality integration of multimedia techniques in the presentation.< Less