A tree-based method for the rapid screening of chemical fingerprints |
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| Authors: | Thomas G Kristensen Jesper Nielsen and Christian NS Pedersen |
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| Institution: | (1) Bioinformatics Research Center (BiRC), Aarhus University, CF M?llers All? 8, DK, 8000 ?rhus C, Denmark |
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| Abstract: | Background The fingerprint of a molecule is a bitstring based on its structure, constructed such that structurally similar molecules
will have similar fingerprints. Molecular fingerprints can be used in an initial phase of drug development for identifying
novel drug candidates by screening large databases for molecules with fingerprints similar to a query fingerprint. |
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