MOLECULAR SIMILARITY SEARCHING USING MEANING-FACTOR REDUCED GRAPH

Abstract

Molecular similarity searching from molecular SMILES format using score base on reduced graphs with meaning factor has been proposed. The effectiveness of the method at is compared with searching using Tanimoto score. The searches have been carried out to find the potential drugs or molecules that form interactions by docking with Cov-Proteinase receptor which is SARS virus protein. Since the new proposed method yield almost higher scores than those obtained from Tanimoto method, the structurally diverse sets of active molecules are more retrieved.