Reproducibility in cheminformatics and computational chemistry research: certainly we can do better than this

Por Landrum, Gregory A
Publicado em 2013

Get your chemistry right with KNIME

Por Meinl, Thorsten, Landrum, Gregory
Publicado em 2013

Open-source platform to benchmark fingerprints for ligand-based virtual screening

Por Riniker, Sereina, Landrum, Gregory A
Publicado em 2013

Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods

Por Riniker, Sereina, Landrum, Gregory A
Publicado em 2013

Bringing the MMFF force field to the RDKit: implementation and validation

Por Tosco, Paolo, Stiefl, Nikolaus, Landrum, Gregory
Publicado em 2014

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma

Por Landrum Gregory, Lewis Richard, Palmer Andrew, Stiefl Nikolaus, Vulpetti Anna
Publicado em 2011-04-01

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma

Por Landrum, Gregory, Lewis, Richard, Palmer, Andrew, Stiefl, Nikolaus, Vulpetti, Anna
Publicado em 2011