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The ever-growing wealth of information has led to the emergence of a fourth paradigm of science. This new field of activity – data science – includes computer science, mathematics and a given specialist domain. This book focuses on chemistry and the use of data science for deep insights taking chemical research and engineering to the next level. It covers Big Data, Artificial Intelligence and new to this edition: Large Language Models.
Thorsten Gressling received his Ph.D. in Chemistry and Computer Science from the University of Kiel (Germany). He became a group leader in various companies, working in China and the US for many years. He works for Bayer as an AI Transformation Lead and teaches AI in Chemistry, Cheminformatics, and Labinformatics at Humboldt University Berlin. He is Bayer Science fellow and author of the book ‘Data Science in Chemistry', First Edition 2020.