KNIME Workflow to Assess PAINS Filters in SMARTS Format. Comparison of RDKit and Indigo Cheminformatics Libraries
- Author(s)
- Saubern, S; Guha, R; Baell, JB;
- Details
- Publication Year 2011-10,Volume 30,Issue #10,Page 847-850
- Journal Title
- MOLECULAR INFORMATICS
- Publication Type
- Journal Article
- Publisher
- WILEY-BLACKWELL
- Keywords
- SOURCE JAVA LIBRARY; DEVELOPMENT KIT CDK; DRUG DISCOVERY
- Publisher's Version
- https://doi.org/10.1002/minf.201100076
- Terms of Use/Rights Notice
- Refer to copyright notice on published article.
Creation Date: 2011-10-01 12:00:00