The Scaffold Tree − Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
نویسندگان
چکیده
منابع مشابه
The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
A hierarchical classification of chemical scaffolds (molecular framework, which is obtained by pruning all terminal side chains) has been introduced. The molecular frameworks form the leaf nodes in the hierarchy trees. By an iterative removal of rings, scaffolds forming the higher levels in the hierarchy tree are obtained. Prioritization rules ensure that less characteristic, peripheral rings a...
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ژورنال
عنوان ژورنال: Journal of Chemical Information and Modeling
سال: 2006
ISSN: 1549-9596,1549-960X
DOI: 10.1021/ci600338x