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Deterministic clustering of the available chemical space.
- Source :
-
Journal of Cheminformatics . 2013, Vol. 5 Issue S1, p1-1. 1p. - Publication Year :
- 2013
-
Abstract
- A conference paper about deterministic clustering of the available chemical space is presented. It informs that the clustering of compound libraries using two-dimensional (2D) binary fingerprints is a fundamental task in chemoinformatics and various methods have been described to solve it. It further informs that the deterministic clustering algorithms, especially agglomerative hierarchical techniques have been shown to yield good results.
- Subjects :
- *CLUSTERING of particles
*CHEMICALS
*HUMAN fingerprints
*CHEMINFORMATICS
*ALGORITHMS
Subjects
Details
- Language :
- English
- ISSN :
- 17582946
- Volume :
- 5
- Issue :
- S1
- Database :
- Academic Search Index
- Journal :
- Journal of Cheminformatics
- Publication Type :
- Academic Journal
- Accession number :
- 86956377
- Full Text :
- https://doi.org/10.1186/1758-2946-5-S1-P53