Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviours, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionise the future of chemistry. Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work.

Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed.

Drawing on the knowledge of its expert team of global contributors, Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications is a fascinating insight into this rapidly developing field and a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work.