Chemoinformatics tool for ligand-based virtual screening
Install
Authors
Maintainers
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)
- vector3
-
parany
>= "11"
-
ocaml
>= "5.0.0"
-
dune
>= "1.11"
- dolog
- conf-gnuplot
- conf-autoconf
- bitv
- batteries
- base-unix
Dev Dependencies
Used by
Conflicts
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