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 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.