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How does Zenobia measure diversity?
Zenobia published a three-part blog-series on the different measures of diversity. Common measure of diversity are discussed in Part 2 and include chemical property diversity, chemical fingerprint diversity and chemical shape diversity. Interestingly, none of these parameters correlate with biological activity.
We view high library diversity as an important parameter in increasing the likelihood of obtaining a hit and that the hits that are identified provide a chemically diverse set of starting points for medicinal chemistry optimization.
Towards this end, we have developed our own diversity coefficient named Zen-DC which is the number of unique Murcko cores divided by the number of compounds in the library. We have the highest Zen-DC of any library on the market (that is available for our internal analysis). A high Zen-DC gives you the highest probability of finding a hit and that the hits you find will provide different chemical series for lead discovery.