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. Journal of Chemical Information and Computer Sciences, 63(11):3423-3437, June 2023. [doi]
Abstract is missing.