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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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Papers overview

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2019
2019
Abstract Databases play an important role in various computational techniques, including virtual screening (VS) and molecular… Expand
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2015
2015
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
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
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
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
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
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
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
We used the freely available Chemistry Development Kit (CDK) fingerprint to classify 5235 representative molecules taken from ten… Expand
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