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"Fragment Merging Using a Graph Database Samples Different Catalogue Space ..."

Stephanie Wills et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C00276

access: open

type: Journal Article

metadata version: 2023-09-12

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Stephanie Wills, Ruben Sanchez-Garcia, Tim Dudgeon, Stephen D. Roughley, Andy Merritt, Roderick E. Hubbard, James Davidson, Frank von Delft, Charlotte M. Deane:
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search. J. Chem. Inf. Model. 63(11): 3423-3437 (2023)

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