Buch, Englisch, 278 Seiten, Format (B × H): 152 mm x 229 mm, Gewicht: 500 g
Fundamentals, Methods and Applications
Buch, Englisch, 278 Seiten, Format (B × H): 152 mm x 229 mm, Gewicht: 500 g
ISBN: 978-0-12-822249-2
Verlag: William Andrew Publishing
Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. 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.
Autoren/Hrsg.
Weitere Infos & Material
1. Introduction to Computational and Data-Driven Chemistry Using AI 2. Goal-directed generation of new molecules by AI methods 3. Compounds based on structural database of X-ray crystallography 4. Approaches using AI in Medicinal Chemistry 5. Application of Machine learning algorithms for use in material chemistry 6. Predicting Conformers of Flexible Metal Complexes using Deep Neural Network 7. Predicting Activity and Activation Factor of Catalytic Reactions Using Machine Learning 8. Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors