Machine learning in molecular sciences Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware algorithms and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts this edited volume covers both the machine learning methodologies and state of the art machine learning applications in a wide range of topics in molecular sciences from electronic structure theory to nuclear dynamics of small molecules to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences