Using R to provide statistical functionality for QSAR modeling in CDK A description of the integration of CDK and the R statistical environment

@inproceedings{Guha2005UsingRT,
  title={Using R to provide statistical functionality for QSAR modeling in CDK A description of the integration of CDK and the R statistical environment},
  author={R. K. Guha},
  year={2005}
}
A previous article[1] discussed the use of the CDK framework as a cheminformatics backend to statistical software, allowing for easy access to chemical information for modeling purposes. However, access to statistical functionality from within the CDK framework is a very useful feature. Ideally, the CDK should be agnostic in terms of which backend provides the statistical functionality. This requires that an interface between the CDK and the statistical software be implemented. This article… CONTINUE READING

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