Lead-oriented synthesis of epigenetic relevant scaffolds

A simple and rational method to rank lead-likeness of molecules using continuous evaluation functions was hereby developed. This strategy proved to be competitive against known methods and finally helped in driving synthetic efforts towards candidates of interest for epigenetic applications against HDAC6, BRD4 and EZH2. We report a simple and rational method to rank lead-likeness of molecules using continuous evaluation functions.

Automated summary

We developed a simple and rational method to rank lead-likeness of molecules using continuous evaluation functions, which has proven to be competitive against known methods and has helped in selecting promising candidate molecules for epigenetic applications.