https://github.com/unixjunkie/hts_shrink

Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
https://github.com/unixjunkie/hts_shrink

applicability-domain bandwidth-selection cadd chemoinformatics hts lbvs ocaml-program parzen-window qsar sample-selection

Last synced: 22 days ago
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Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets

• Host: GitHub
• URL: https://github.com/unixjunkie/hts_shrink
• Owner: UnixJunkie
• License: other
• Created: 2018-10-09T05:18:30.000Z (about 6 years ago)
• Default Branch: master
• Last Pushed: 2023-11-28T00:40:41.000Z (11 months ago)
• Last Synced: 2023-11-28T01:35:26.127Z (11 months ago)
• Topics: applicability-domain, bandwidth-selection, cadd, chemoinformatics, hts, lbvs, ocaml-program, parzen-window, qsar, sample-selection
• Language: OCaml
• Size: 2.56 MB
• Stars: 7
• Watchers: 3
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

README

        
# hts_shrink

Distance-Based Boolean Applicability Domain for

Classification of High Throughput Screening Data



[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.1452088.svg)](https://doi.org/10.5281/zenodo.1452088)

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.