Chemoinformatics software for consensus fingerprint queries

Install

Authors

Maintainers

Sources

v2.2.0.tar.gz
md5=b6c428377847378a08b878fd9264ddee

Description

Chemoinformatics software to do similarity searches using consensus fingerprint queries.

For more details, see the README on github:

https://github.com/UnixJunkie/consent

Please cite the corresponding paper in case you use this software and publish about your results:

@article{Berenger2017, title={Consensus queries in ligand-based virtual screening experiments}, author={Berenger, Francois and Vu, Oanh and Meiler, Jens}, journal={Journal of Cheminformatics}, volume={9}, number={1}, pages={60}, year={2017}, publisher={BioMed Central}, doi={10.1186/s13321-017-0248-5}, }

Published: 09 Jan 2023

Dependencies (16)

  1. conf-rdkit
  2. conf-python-3
  3. conf-openbabel
  4. conf-boost
  5. minicli >= "5.0.0"
  6. dokeysto
  7. cpm
  8. vpt
  9. qcheck
  10. camlzip
  11. dolog >= "4.0.0"
  12. parany >= "13.1.0"
  13. bitv >= "1.2"
  14. batteries
  15. dune >= "1.6"
  16. ocaml >= "5.0.0"

Dev Dependencies

    None

Used by

    None

Conflicts

    None