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Predictive Graph Mining
[chapter]
2004
Lecture Notes in Computer Science
Graph mining approaches are extremely popular and effective in molecular databases. The vast majority of these approaches first derive interesting, i.e. frequent, patterns and then use these as features to build predictive models. Rather than building these models in a two step indirect way, the SMIREP system introduced in this paper, derives predictive rule models from molecular data directly. SMIREP combines the SMILES and SMARTS representation languages that are popular in computational
doi:10.1007/978-3-540-30214-8_1
fatcat:i4i4esud35ebtlctfb7yzoazrq