The world is targeting fully sustainable electricity by 2050. Energy storage systems have the biggest role to play in the 100% renewable energy scenario. This paper presents an optimal method for energy storage sizing and allocation in a power system including a share of wind farms. The power system, which is used as a test system, is a modified version of the IEEE 39 bus system. The optimization is applied using novel pharmacophore modeling (PM), which is compared to state-of-the-art techniques. The objective of the optimization is to minimize the costs of power losses, peak demand and voltage deviation. The PM optimization is applied using two methods, namely, weighting factor and normalization. The optimization and simulation are applied in the DIgSILENT power factory software application. The results show that normalization of PM optimization drives the power system to less cost in terms of total power losses by up to 29% and voltage deviation by up to 4% and better covers peak demand than state-of-the-art optimization techniques.