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Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

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hts_shrink

Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data

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DOI

Reference implementation of the Distance-Based Boolean Applicability Domain.

For more information, and if you use the software, please cite:

"A Distance-Based Boolean Applicability Domain for Classification of High Throughput Screening Data". Francois Berenger and Yoshihiro Yamanishi. Journal of Chemical Information and Modeling: https://pubs.acs.org/doi/10.1021/acs.jcim.8b00499

To install the software

opam update
opam install hts_shrink

To test the software

./test.sh

For an example, plese look into test.sh.