package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening data

Install

Dune Dependency

Authors

Maintainers

Sources

v2.1.0.tar.gz
sha256=88cb3bd595ef1bc148625b3295433c75d028fdd8f99de8e25e18e00e561f7734
md5=47250c8677294cbd70f9d3e60d02b04b

README.md.html

hts_shrink

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

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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.

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