 Big data has become increasingly important in the field of biomedicine due to advances in technology and open data initiatives. Data volumes and diversity have grown exponentially, allowing for more efficient and accurate analysis of large datasets. Computational tools and databases are being used throughout the drug discovery process from target identification and mechanism of action to lead identification and drug candidate validation. To make these processes cost-effective and focused on personalized medicine, we suggest combining information technologies and chemoinformatics tools based on their synergistic relationship. This article was authored by Theodora Katsula, Georgios A. Spirulius, George P. Petrinos, and others.