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Table 1 Overview of the steps necessary to apply the two presented approaches to extend similarities

From: Improving structural similarity based virtual screening using background knowledge

Step A: by-hand approach B: mining-based approach
1 Review literature/examine structure Calculate frequently occurring
  to determine BI substructures (BI) in known
   ligands with FTM
2 Fragment relevant substructure Build fingerprint from
  and build binary occurrence frequently occurring
  fingerprint from all fragments substructures
3 Rank DB with s i m e x t Rank DB with s i m e x t
  1. Overview table of the steps necessary to apply the two presented approaches to extend similarities. DB: database; BI: binding-relevant information.