Groovy Cheminformatics with the Chemistry Development Kit

eBook (PDF), 240 Pages
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Price: $14.99
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 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.
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Product Details

February 19, 2015
File Format
File Size
1.57 MB

Formats for this Ebook

Required Software Any PDF Reader, Apple Preview
Supported Devices Windows PC/PocketPC, Mac OS, Linux OS, Apple iPhone/iPod Touch... (See More)
# of Devices Unlimited
Flowing Text / Pages Pages
Printable? Yes
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