Structural clustering of millions of molecular graphs
Author:
Affiliation:
1. Technische Universität München, Germany
2. Johannes Gutenberg-Universität Mainz, Mainz, Germany
Publisher
ACM
Link
https://dl.acm.org/doi/pdf/10.1145/2554850.2555063
Reference18 articles.
1. Xproj
2. ChemDB: a public database of small molecules and related chemoinformatics resources
3. Omega: A General Formulation of the Rand Index of Cluster Recovery Suitable for Non-disjoint Solutions
4. Validation indices for graph clustering
5. Modeling and Management of Signal Transduction Pathways with Live Sequence Charts
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