Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules

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Bibliographic Details
Published in:Molecular informatics 2013-02, Vol.32 (2), p.133-138
Main Authors: Reutlinger, Michael, Koch, Christian P., Reker, Daniel, Todoroff, Nickolay, Schneider, Petra, Rodrigues, Tiago, Schneider, Gisbert
Format: Article
Language:English
Subjects:
Combinatorial chemistry
Communications
Drug design
Orphan drug
Polypharmacology
Self-organizing map
Similarity searching
Virtual screening
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ISSN:1868-1743
1868-1751
DOI:10.1002/minf.201200141