The Ligand Efficiency Calculator calculator can be used to determine the efficiency of a ligand in binding to a target molecule, typically a protein or enzyme.
Learn how to use the Ligand Efficiency Calculator calculator and its working principles
Ligand efficiency (LE) is a measure of the efficiency of a ligand in binding to a target molecule, typically a protein or enzyme. It is calculated as the logarithm (base 10) of the IC50 divided by the number of heavy atoms in the ligand. A higher LE value indicates a more efficient ligand.
LE = log10(IC50) / n
Where: