What Is 'Digital Chemistry'?

Digital Chemistry

In this course, Professor Lee Cronin (University of Glasgow), the concept of digital chemistry is introduced, highlighting its relevance in representing chemical processes using binary digits. We begin by: (i) tracing the evolution of chemistry from alchemy to atomic relationships and the periodic table; and (ii) understanding how programming languages play a crucial role in chemistry, with the integration of physical inputs and automation enabling more efficient experiments and data acquisition; before (iii) showing that computation in chemistry combines physical and digital processes to create desired molecules, utilising algorithms and rules; and then (iv) the digital nature of chemistry is further explored, including the encoding of reactions and molecules, simulation, and the discovery of new reactions and molecules; and finally (v) the future potential of digital chemistry is discussed, envisioning applications such as robotic molecule creation, drug discovery, and global access to molecules.

What Is 'Digital Chemistry'?

In the first mini-lecture, we introduce digital chemistry as a concept, which involves representing chemical processes using binary digits. We begin by tracing the evolution of chemistry from alchemy to the development of atomic relationships and the periodic table. We continue by emphasising that every chemist is a digital chemist by understanding the fundamental relationships between atoms and molecules. Digitization in chemistry involves recording observations in a standardised manner, similar to writing a program. This formalisation enables accurate communication and reproducibility. Digital chemistry allows for precise reaction control and the propagation of information. It is crucial for future chemists and researchers to ensure accurate communication and faithful experiment reproduction.