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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…
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Bioclipse
Bioinformatics
Chemical Markup Language
Chemical file format
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Broader (1)
Cheminformatics
Papers overview
Semantic Scholar uses AI to extract papers important to this topic.
2014
2014
Informatics for tandem mass spectrometry-based metabolomics
S. Beisken
2014
Corpus ID: 32812497
Metabolomics is a rapidly expanding field with applications in areas such as medicine, agriculture, or food safety. Tandem mass…
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2013
2013
A Similarity-Based Grouping Method for Molecular Docking in Distributed System
Ruisheng Zhang
,
Guangcai Liu
,
Rongjing Hu
,
Jiaxuan Wei
,
Juan Li
International Conference on Advanced Data Mining…
2013
Corpus ID: 20119481
Molecular docking is one main technique in Virtual Screening. During a molecular docking process, the molecule docking time…
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2012
2012
AUTOMATIC GENERATION OF TAUTOMERS
N. Kocheva
,
V. Paskalevaa
,
N. Jeliazkovab
2012
Corpus ID: 73656779
A software module for automatic generation of tautomers is introduced. The software is implemented on top of Chemistry…
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2011
2011
Groovy Cheminformatics with the Chemistry Development Kit
Egon Willighagen
2011
Corpus ID: 92769062
2011
2011
CDK-Taverna 2.0: migration and enhancements of an open-source pipelining solution
Andreas Truszkowski
,
Stefan Neumann
,
A. Zielesny
,
Egon Willighagen
,
C. Steinbeck
Journal of Cheminformatics
2011
Corpus ID: 9939869
Pipelining or workflow tools allow for the LegoTM-like, graphical assembly of I/O modules and algorithms into a complex workflow…
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2009
2009
Linking Open Drug Data to Cheminformatics and Proteochemometrics
Egon Willighagen
,
J. Wikberg
Workshop on Semantic Web Applications and Tools…
2009
Corpus ID: 9811194
Semantic Web technologies have made great steps forwardin data exchange in health care and life sciences in the past years…
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2007
2007
Identification of P-gp Substrates Using a Random Forest Method Based on Chemistry Development Kit Descriptors
Ma Guang
2007
Corpus ID: 101440018
A model to identify P-glycoprotein(P-gp) substrate was constructed with a random forest method based on open source software CDK…
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2006
2006
Classifying the World Anti-Doping Agency's 2005 Prohibited List Using the Chemistry Development Kit Fingerprint
Edward O. Cannon
,
John B. O. Mitchell
International Symposium on Computational Life…
2006
Corpus ID: 18575731
We used the freely available Chemistry Development Kit (CDK) fingerprint to classify 5235 representative molecules taken from ten…
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2006
2006
CDKTools : The CDK-Octet Bridge
R. Apodaca
2006
Corpus ID: 5392620
Although the Chemistry Development Kit (CDK) [1, 2] and Octet [3, 4] are similar in several respects, they also differ in…
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2006
2006
Computational Life Sciences II, Second International Symposium, CompLife 2006, Cambridge, UK, September 27-29, 2006, Proceedings
M. Berthold
,
R. Glen
,
I. Fischer
International Symposium on Computational Life…
2006
Corpus ID: 29671798
Genomics.- Improved Robustness in Time Series Analysis of Gene Expression Data by Polynomial Model Based Clustering.- A Hybrid…
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