Journal
CHEMMEDCHEM
Volume 1, Issue 2, Pages 181-+Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/cmdc.200500005
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Virtual screening: Different similarity searching descriptors were compared for scaffold hopping. The pharmacophore pair CATS descriptor performed best for ligand classes with a high fraction (fract) of different scaffolds, MACCS fingerprints were best for classes with low scaffold diversity. The methods complemented each other in retrieving scaffolds.
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