- Natural product-likeness score revisited: an open-source, open-data implementationKalai Vanii Jayaseelan
Chemoinformatics and Metabolism, European Bioinformatics Institute EBI, UK
BMC Bioinformatics 13:106. 2012..In this note, we report an open-source and open-data re-implementation of this scoring system, illustrate its efficiency in ranking small molecules for natural product likeness and discuss its potential applications...
- New developments on the cheminformatics open workflow environment CDK-TavernaAndreas Truszkowski
Chemoinformatics and Metabolism, European Bioinformatics Institute EBI, Cambridge, UK
J Cheminform 3:54. 2011..abstract:..