The development of medicinal chemistry is advancing very rapidly. Big pharmaceutical companies, research institutes and universities are working on ground-breaking solutions to help patients combat all kinds of diseases. During that development process, tons of data are generated – not only from the lab environment but also from clinical trials. Since discovering more potent, safer and cheaper drugs is the ultimate goal of all research bodies, we should all focus on making the data we gather FAIR: Findable, Accessible, Interoperable, and Reusable to push the boundaries of drug development even further.
With the currently available methods such as artificial intelligence, machine learning, many toolkits, software and access to various databases, managing big data is now inherently linked to medicinal chemistry and helps to make this area as efficient as it can be.
In this training session, we will explore some concepts related to FAIR data principles and medicinal chemistry, explore the available chemical and pharmacological databases, and perform some basic data analyses using the Galaxy interface.
Participants are encouraged to familiarise themselves with the Galaxy platform and available training materials.