Friday 7th June, 2013
1:30pm to 2:00pm
Searching for substructures in molecules belongs to the most elementary tasks in cheminformatics. Especially in graph-based similality searching, it is required to develop algorithms for fastsearch to deal with large compound dabases. Recently, several application tools such as gSpan, GASTON, gWT were released. In this study, we tested the simirarity searching speed of gWT software using large compound database (ChEMBL_14).
Sign in to add slides, notes or videos to this session