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Aim:  Providing a large and freely available  in silico  collection of analog series-based (ASB) scaffolds for computational design and medicinal chemistry applications.    Methodology:  Using a recently introduced computational method, ASB scaffolds with single and multiple substitution sites were systematically isolated from publicly available active compounds.    Data:  A total of 23,791 unique ASB scaffolds are made available in an organized and machine-readable form as an open access deposition. For each ASB scaffold, the number of analogs it represents is also provided.    Next steps:  The freely available collection of ASB scaffolds will be further analyzed to explore different types of scaffold relationships. The ASB scaffold collection will periodically be updated.

Collection of analog series-based scaffolds from public compound sources