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IRA: A shape matching approach for recognition and comparison of generic atomic patterns

Miha Gunde , Nicolas Salles , Anne Hémeryck , Layla Martin-Samos
Journal of Chemical Information and Modeling, 2021, 61, pp.5446-5457. ⟨10.1021/acs.jcim.1c00567⟩
Journal articles hal-03406717v1