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Intuitive Ordering of Scaffolds and Scaffold Similarity Searching Using Scaffold Keys
Journal of Chemical Information and Modeling, 2014Scaffold Keys-scaffold descriptors based on simple topological parameters such as number of ring and chain atoms, number and type of heteroatoms, and other simple structural features-are presented. Scaffold Keys enable intuitive ordering of scaffolds from small and simple to large and complex, ordering that is consistent with the way medicinal chemists
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8. Windows; Working Scaffolds; Supporting Scaffold; Protective Scaffolding
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