package lbvs_consent

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Chemoinformatics software for Ligand-Based Virtual Screening (LBVS) using consensus queries.

Install

Dune Dependency

github.com Edit opam file Versions (9)

Authors

  1. F
    Francois BERENGER

Maintainers

  1. U
    unixjunkie@sdf.org

Sources

v1.1.2.tar.gz
md5=26c77469380e0636c3a825ebc67b303d

Description

Similarity search for molecules using several known active molecules (for a protein of interest) instead of a single query search. Details can be found in the paper: "Consensus queries in ligand-based virtual screening experiments". F. Berenger, O. Vu and J., Meiler. Journal of Cheminformatics, November 2017.

Published: 13 Dec 2017

Dev Dependencies

None

Used by

None

Conflicts

None