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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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Papers overview

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2019
2019
Abstract Databases play an important role in various computational techniques, including virtual screening (VS) and molecular… 
2015
2015
The project was funded by Unilever, the Biotechnology and Biological Sciences Research Council [BB/I532153/1], and the European… 
2012
2012
A software module for automatic generation of tautomers is introduced. The software is implemented on top of Chemistry… 
2010
2010
The bioinformatics community has developed a policy of open access and open data since its inception. This is contrary to… 
2009
2009
Semantic Web technologies have made great steps forwardin data exchange in health care and life sciences in the past years… 
2009
2009
The recent release of large open access chemistry databases into the public domain generates a demand for flexible tools to… 
2007
2007
A model to identify P-glycoprotein(P-gp) substrate was constructed with a random forest method based on open source software CDK… 
2006
2006
We used the freely available Chemistry Development Kit (CDK) fingerprint to classify 5235 representative molecules taken from ten… 
2006
2006
Although the Chemistry Development Kit (CDK) [1, 2] and Octet [3, 4] are similar in several respects, they also differ in…