A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2019; you can also visit the original URL.
The file type is application/pdf
.
Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches
2007
Drug Discovery Today
The success of ligand-based virtual-screening calculations is influenced highly by the nature of target-specific structure-activity relationships. This might pose severe constraints on the ability to recognize diverse structures with similar activity. Accordingly, the performance of similarity-based methods strongly depends on the class of compound that is studied, and approaches of different design and complexity often produce, overall, equally good (or bad) results. However, it is also found
doi:10.1016/j.drudis.2007.01.011
pmid:17331887
fatcat:cr42wezjjjecthwkguss45drvm