where µ ′ sol is the excess chemical potential of the molecule and V is the standard state volume of the molecule of interest. The standard states for water and small molecules are well-defined as 55 M and 1 M, respectively, however, in many cases, simulating a molecule, such as a fragment, at a concentration that is not the standard state is more experimentally relevant. For example, fragment-like molecules tend to bind to their targets in the micromolar to millimolar range. In situations where the molecule in a reference solution (the solution with which our simulated system is in equilibrium) deviates from the standard state, we define the Adams value with a specific concentration dependence: