package hts_shrink

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Distance-Based Boolean Applicability Domain for High Throughput Screening data

Install

Dune Dependency

Authors

Maintainers

Sources

v2.1.1.tar.gz
sha256=81d20e326d1394c3266ed6b04751c1187225c461c6f2768975ee1805e1071469
md5=3695c334edf43e668798af88f9a3489e

Description

Reference implementation of the Distance-Based Boolean Applicability Domain (DBBAD). 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 Apr 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 >= "5.0.0" & < "11.0.0"
  8. parmap
  9. dolog >= "4.0.0" & < "5.0.0"
  10. batteries
  11. dune < "3.0"

Dev Dependencies (1)

  1. get_line with-test

Used by

None

Conflicts

None

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