Fig. 5: Analysis of the chemical diversity of the most potent compounds compared to the described BRD4 (BD1) binders.
From: A bottom-up approach to find lead compounds in expansive chemical spaces
a Illustration of the chemical diversity. Representation of the random molecules from Chemical Checker chemical space (gray), known BRD4 (BD1) binders from ChEMBL (blue), and validated binder compounds discovered (red). b Histogram exhibiting the intragroup distance’s distribution (cosine distance) for compounds obtained from the bottom-up approach (orange), a set of randomly selected compounds from the Chemical Checker chemical space (green), and the known BRD4 binders (blue).
