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

Por Landrum, Gregory A
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

Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria

Por Riniker, Sereina, Landrum, Gregory A., Montanari, Floriane, Villalba, Santiago D., Maier, Julie, Jansen, Johanna M., Walters, W. Patrick, Shelat, Anang A.
Publicado no F1000Res (2018)