… is possible to increase the effectiveness of similarity-based virtual screening by carrying out
… initial similarity search. The approach requires no modifications to existing similarity software …

… essential for the success of molecular similarity analysis or virtual screening. The answer is
no… database, providing a strategy that was more effective at enriching selection sets for active …

… effectiveness of various similarity coefficients for 2D similarity … effective than the SUM rule
for the combination of similarity … For practical purposes in virtual screening, we believe that …

… of similarity searches when multiple reference structures are available. We demonstrate that
this technique is notably more effective than conventional similarity … from a similarity search, …

… This screening technique functions by making a comparison … It is well known that none of
the individual similarity measures … effectiveness of ligand-based virtual screening approaches. …

… Group fusion involves combining the results of similarity searches based on multiple … a
single similarity measure. We demonstrate the effectiveness of this approach to screening, and …

… We have previously demonstrated the efficiency of RASCAL [8]; in this paper, we report
an investigation of its effectiveness when used for virtual screening and compare the results …

… We report that the virtual screening results could further be improved by combining the
chemical binding similarity model with 3D-QSAR pharmacophore and molecular docking models. …

… regarding similarity criteria are collected. For the purpose of virtual screening, the … format
that permits a comparison, according to given similarity criteria, comprising the use of the 3D …

… and the resulting shape similarity was shown to be useful in virtual screening applications. …
The effect of binary representations of fingerprints has been known for some time, such as …