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

Mol Inform. 2013 Feb;32(2):133-138. doi: 10.1002/minf.201200141. Epub 2013 Feb 7.

¹ ETH, Department of Chemistry and Applied Biosciences, Institute of Pharmaceutical Sciences Wolfgang-Pauli-Str. 10, CH-8093 Zurich, Switzerland fax: +41 44 633 13 79, tel: +41 44 633 74 38.

No abstract available

Keywords: Combinatorial chemistry; Drug design; Orphan drug; Polypharmacology; Self-organizing map; Similarity searching; Virtual screening.