Increasing the hit-rate of screening campaigns

The high quality of prediction on new compounds was validated through an comparison with experimental screening results. 41632 substances have been experimentally screened, whereby 1,1% of the substances possessed an antiviral activity (459 hits).

We virtually screened these substances with MolScore-Antivirals and ranked them according to their probability of becoming an antiviral drug.

MolScore-
Antivirals
 selects compounds for focussed
antiviral
screening
campaigns.
 

Up to
77% of
screening
costs
can be saved.
 

Secure the
same number
 of hits
 while testing
far fewer compounds.
 

MolScore-results can easily be integrated
via SDF-files.
 

Results:

MolScore-Antivirals selects suitable antiviral substances, so only a small number of the compounds has to be screened experimentally while securing the same number of hits, for example:

By using MolScore-Antivirals only 12,5% of the compounds have to be screened to yield more than half of the hits (247 hits).

Further screening of 28% yields to 88% of the overall hits (403 hits).

As a result, up to 77% of costs (purchase of substances, screening-costs, etc.) are saved.

Only 12,5% need  to be screened to achieve 54% of the hits.

Only 40% have to be screened to get achieve 88% of the hits.