package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening datasets

Install

Dune Dependency

Authors

Maintainers

Sources

v2.0.0.tar.gz
sha256=1740e39fdca8113ae537aa34e21c5ee506429e3348f350cb347f84c5766ce162
md5=5b308e11baa27b0196c00f94de8cf372

README.md.html

hts_shrink

Distance-Based Boolean Applicability Domain for High Throughput Screening datasets

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" Francois Berenger and Yoshihiro Yamanishi. To appear in Journal of Chemical Information and Modeling.

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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