lbvs_consent

AuthorFrancois BERENGER
LicenseGPL
Homepagehttps://github.com/UnixJunkie/consent
Issue Trackerhttps://github.com/UnixJunkie/consent/issues
Maintainerunixjunkie@sdf.org
Dependencies
&batteries
bitv>= 1.2
camlzip>= 1.06
conf-boost
conf-openbabel
conf-python-2-7
conf-rdkit
cpm
dolog
minicli
minivpt
obuild
parmap
qcheck
qtest
PublishedApr 27, 2018
Source [http] https://github.com/UnixJunkie/consent/archive/v1.1.3.tar.gz
3be9281c4c35e6e9380948aa2a2ac818
StatisticsNot installed in the last month.
Edithttps://github.com/ocaml/opam-repository/tree/master/packages/lbvs_consent/lbvs_consent.1.1.3/opam

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

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.

No package is dependent