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A New Clustering Algorithm Based on Pattern Extraction in Molecular Fingerprints
Palacios Bejarano, Bernardo; Cerruela García, Gonzalo; Luque Ruiz, Irene; García-Pedrajas, Nicolás; Gómez-Nieto, Miguel Ángel (2017-12-11)In this paper an algorithm for the extraction of patterns in chemical fingerprints is described. As input this algorithm uses a fingerprint representation of the molecule dataset, generating a group of consistent disjoint ...