Since the simulations work on a molecular representation of the system, the optimizer is chosen to represent formulations as a set of mole fractions. Requests for formulations therefore need to be transformed to volume fractions by the ASAB software to enable volumetric dosing of the stock solutions. In case there is no exact solution to the transformation, the system selects the closest accessible formulation using a gradient descent method provided in the SciPy Python package. This may result in a significant difference between the requested and reported formulation, which poses the risk of blocking the optimization loop due to repeated request of the same, non-feasible formulation.