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Chemoinformatics tool for ligand-based virtual screening

Install

github.com Readme BSD-3-Clause License Edit opam file

Authors

  1. F
    Francois Berenger

Maintainers

  1. U
    unixjunkie@sdf.org

Sources

v2.0.0.tar.gz
md5=a3a716d3fee8e5a34af24ec945686870

Description

AutoCorrelation of Partial Charges (ACPC)

Bibliography

Berenger, F., Voet, A., Lee, X. Y., & Zhang, K. Y. (2014). A Rotation-Translation Invariant Molecular Descriptor of Partial Charges and its Use in Ligand-Based Virtual Screening. Journal of Cheminformatics, 6(1), 1-12. https://doi.org/10.1186/1758-2946-6-23

Published: 13 Jan 2023

Dependencies (10)

  1. vector3
  2. parany >= "11"
  3. ocaml >= "5.0.0"
  4. dune >= "1.11"
  5. dolog
  6. conf-gnuplot
  7. conf-autoconf
  8. bitv
  9. batteries
  10. base-unix

Dev Dependencies

    None

Used by

    None

Conflicts

    None