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Review Groovy Cheminformatics with the Chemistry Development Kit

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Jan. 26, 2012 By Dr. Lochana Menikarachchi
I came across Egon’s book on Chemistry Development Kit (CDK) when I was looking for a tutorial or a book to getting started with CDK. I was a computational biochemist by training, but never being exposed to Cheminformatics. I had very little time to get up to speed with CDK for a Java based software project. What you will get from Egon’s book is a down to earth introduction to the general functionality of the CDK. While it does not cover every aspect of CDK in depth, it gives you enough to get started. My review here is based on the 3rd edition. The new edition is supposed to have even more topics. The book has a large number of self-contained code snippets you can try out while... More > reading. The code snippets are in groovy, a language close enough to pure Java. If you are a programmer looking for a Java book like me, this book should still give you enough details to write what you need in Java. Here is a link to the description of the software product, I was able to develop in less than two months with the CDK book in hand http://metabolomics.pharm.uconn.edu < Less

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Product Details

Copyright Egon Willighagen (Standard Copyright License)
Edition 1.4.7-0
Published January 15, 2012
Language English
Pages 152
 
File Format PDF
File Size 992.3 kB

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