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.
T. Maujean, P. Kannaboina, A. I. Green and G. M. Burslem, Chem. Commun., 2023, 59, 14555 DOI: 10.1039/D3CC04317G
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