package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening data

Install

Dune Dependency

Authors

Maintainers

Sources

v2.1.2.tar.gz
sha256=244bac04bac905662d17d64a4fb56f5ec2e89777412afe0058eb758d562281b3
md5=e6c2df7ae2c2975dae6ecf0c6541774c

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: 23 Jun 2020

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 (11)

  1. ocaml >= "4.03"
  2. ptmap
  3. ocamlgraph
  4. bst
  5. bitv
  6. minicli >= "5.0.0"
  7. parany >= "11.0.2"
  8. parmap
  9. dolog >= "4.0.0" & < "5.0.0"
  10. batteries
  11. dune >= "2.5"

Dev Dependencies (1)

  1. get_line with-test

Used by

None

Conflicts

None

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