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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.
2019
2019
A primer on natural product-based virtual screening
Eleni Koulouridi
,
M. Valli
,
F. Ntie‐Kang
,
V. Bolzani
Physical Sciences Reviews
2019
Corpus ID: 86521942
Abstract Databases play an important role in various computational techniques, including virtual screening (VS) and molecular…
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2015
2015
Cheminformatics for genome-scale metabolic reconstructions
J. May
2015
Corpus ID: 82940852
The project was funded by Unilever, the Biotechnology and Biological Sciences Research Council [BB/I532153/1], and the European…
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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
2010
2010
ChEBI: a chemistry ontology and database
P. Matos
,
A. Dekker
,
+4 authors
C. Steinbeck
J. Cheminformatics
2010
Corpus ID: 21095492
The bioinformatics community has developed a policy of open access and open data since its inception. This is contrary to…
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2009
2009
Linking Open Drug Data to Cheminformatics and Proteochemometrics
Egon Willighagen
,
J. Wikberg
SWAT4LS
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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2009
2009
Open Source Workflow Engine for Cheminformatics: From Data Curation to Data Analysis
T. Kuhn
2009
Corpus ID: 16632752
The recent release of large open access chemistry databases into the public domain generates a demand for flexible tools to…
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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
CompLife
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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