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Chemistry Development Kit

Known as: CDK 
The Chemistry Development Kit is an open-source Java library for Chemoinformatics and Bioinformatics. It is available for Windows, Unix, and Mac OS X… Expand
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BioclipseBioinformaticsChemical Markup LanguageChemical file format
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Broader (1)

Cheminformatics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2019
2019
A primer on natural product-based virtual screening
Abstract Databases play an important role in various computational techniques, including virtual screening (VS) and molecular… Expand
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2015
2015
Cheminformatics for genome-scale metabolic reconstructions
The project was funded by Unilever, the Biotechnology and Biological Sciences Research Council [BB/I532153/1], and the European… Expand
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2014
2014
Informatics for tandem mass spectrometry-based metabolomics
Metabolomics is a rapidly expanding field with applications in areas such as medicine, agriculture, or food safety. Tandem mass… Expand
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2011
2011
Groovy Cheminformatics with the Chemistry Development Kit
 
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2011
2011
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution
Pipelining or workflow tools allow for the LegoTM-like, graphical assembly of I/O modules and algorithms into a complex workflow… Expand
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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… Expand
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2009
2009
Linking Open Drug Data to Cheminformatics and Proteochemometrics
Semantic Web technologies have made great steps forwardin data exchange in health care and life sciences in the past years… Expand
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2009
2009
Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis
The recent release of large open access chemistry databases into the public domain generates a demand for flexible tools to… Expand
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2007
2007
Identification of P-gp Substrates Using a Random Forest Method Based on Chemistry Development Kit Descriptors
A model to identify P-glycoprotein(P-gp) substrate was constructed with a random forest method based on open source software CDK… Expand
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2006
2006
Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint
We used the freely available Chemistry Development Kit (CDK) fingerprint to classify 5235 representative molecules taken from ten… Expand
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