Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping

Hiroshi Nakano, Tomoyuki Miyao, Swarit Jasial, Kimito Funatsu. Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping. Journal of Chemical Information and Computer Sciences, 61(7):3348-3360, 2021. [doi]

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