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Chemistry Development Kit

The Chemistry Development Kit is an open-source Java library for Chemoinformatics and Bioinformatics. It is available for Windows, Unix, and Mac OS X… (More)
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Topic mentions per year

Topic mentions per year

2003-2017
012320032017

Related topics

Related topics

26 relations
BioclipseBioinformaticsChemical Markup LanguageChemical file format
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Broader (1)

Cheminformatics

Related mentions per year

Related mentions per year

1936-2018
19401960198020002020
Chemistry Development Kit
Java
Bioinformatics
Microsoft Windows
Query language
Unix

Papers overview

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Review
2017
Review
2017
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
BACKGROUND The Chemistry Development Kit (CDK) is a widely used open source cheminformatics toolkit, providing data structures to… (More)
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2017
2017
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching
© The Author(s) 2017. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License… (More)
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2014
2014
Efficient ring perception for the Chemistry Development Kit
BACKGROUND The Chemistry Development Kit (CDK) is an open source Java library for manipulating and processing chemical… (More)
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Highly Cited
2011
Highly Cited
2011
PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints
INTRODUCTION PaDEL-Descriptor is a software for calculating molecular descriptors and fingerprints. The software currently… (More)
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2011
2011
New developments on the cheminformatics open workflow environment CDK-Taverna
BACKGROUND The computational processing and analysis of small molecules is at heart of cheminformatics and structural… (More)
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2010
2010
ChEBI: a chemistry ontology and database
The bioinformatics community has developed a policy of open access and open data since its inception. This is contrary to… (More)
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2009
2009
OrChem: an open source chemistry search engine for Oracle
BACKGROUND Registration, indexing and searching of chemical structures in relational databases is one of the core areas of… (More)
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2009
2009
Small Molecule Subgraph Detector (SMSD) toolkit
BACKGROUND Finding one small molecule (query) in a large target library is a challenging task in computational chemistry… (More)
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2008
2008
Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project
References 1. Oinn T, Addis M, Ferris M, Marvin D, Senger M, Greenwood M, Carver T, Glover K, Pocock M, Wipat A, Li P: Taverna: A… (More)
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Review
2003
Review
2003
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo-and Bioinformatics
The Chemistry Development Kit (CDK) is a freely available open-source Java library for Structural Chemo- and Bioinformatics. Its… (More)
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