package acpc

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Chemoinformatics tool for ligand-based virtual screening

Install

github.com 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

Dev Dependencies

None

Used by

None

Conflicts

None