This is the first in a three-part series discussing chemical diversity.
In Part 1, we introduce the concept of diversity in the context of fragment screening libraries.
How does one understand Chemical Diversity?
Merriam-Webster dictionary defines diversity as: “an instance of being composed of differing elements or qualities".
In the context of screening libraries, we refer to chemical diversity as the diversity of the chemical composition for a set of compounds. However, the approaches and criteria for chemical diversity can be as diverse as the libraries themselves!
Interestingly, despite the strong emphasis placed on library diversity, there is actually no correlation between chemical properties and biological activity reported in the literature (1).
Why is diversity a defining characteristic of chemical libraries?
From our point of view, diversity is directly related to the efficiency of the library. This includes coverage of chemical s...