package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening data

Install

Dune Dependency

github.com Readme BSD-3-Clause License Edit opam file Versions (6)

Authors

  1. F
    Francois Berenger

Maintainers

  1. U
    unixjunkie@sdf.org

Sources

v3.0.1.tar.gz
md5=37e3ea3323a1a18f77d15259d378c94e

Description

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

Published: 27 Nov 2023

README

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.

Dependencies (9)

  1. ocaml >= "4.03"
  2. bst
  3. minicli >= "5.0.0"
  4. parany >= "11.0.2"
  5. dolog >= "4.0.0"
  6. molenc >= "11.1.1"
  7. cpm
  8. batteries >= "3.0.0"
  9. dune >= "2.5"

Dev Dependencies (1)

  1. get_line with-test

Used by

None

Conflicts

None