package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening data

Install

Dune Dependency

Authors

Maintainers

Sources

v3.0.1.tar.gz
sha256=d5615c98fa0af29721206259d794f19cdaa9a73f0e2063cb66757a6b773b55d5
md5=37e3ea3323a1a18f77d15259d378c94e

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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