Machine Learning in Chemistry (eBook)

The Impact of Artificial Intelligence

Hugh M Cartwright (Herausgeber)

eBook Download: EPUB

2020
546 Seiten
Royal Society of Chemistry (Verlag)
978-1-83916-024-0 (ISBN)

Infos

This book provides practical examples of machine learning applied to science to help researchers make an informed choice about using the method in chemistry.

Inhalt

Computers as Scientists; How Do Machines Learn?; MedChemInformatics: An Introduction to Machine Learning for Drug Discovery; Machine Learning for Nonadiabatic Molecular Dynamics; Machine Learning in Science – A Role for Mechanical Sympathy?; A Prediction of Future States: AI-powered Chemical Innovation for Defense Applications; Machine Learning for Chemical Synthesis; Constraining Chemical Networks in Astrochemistry; Machine Learning at the (Nano)materials-biology Interface; Machine Learning Techniques Applied to a Complex Polymerization Process; Machine Learning and Scoring Functions (SFs) for Molecular Drug Discovery: Prediction and Characterisation of Druggable Drugs and Targets; Artificial Intelligence Applied to the Prediction of Organic Materials; A New Era of Inorganic Materials Discovery Powered by Data Science; Machine Learning Applications in Chemical Engineering; Representation Learning in Chemistry; Demystifying Artificial Neural Networks as Generators of New Chemical Knowledge: Antimalarial Drug Discovery as a Case Study; Machine Learning for Core-loss Spectrum; Autonomous Science: Big Data Tools for Small Data Problems in Chemistry; Machine Learning for Heterogeneous Catalysis: Global Neural Network Potential from Construction to Applications; A Few Guiding Principles for Practical Applications of Machine Learning to Chemistry and Materials

Produkt-Details

• Erscheint lt. Verlag: 15.7.2020
• Reihe/Serie: ISSN
• Reihe/Serie: ISSN
• Sprache: englisch
• Themenwelt: Informatik ► Theorie / Studium ► Künstliche Intelligenz / Robotik
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Schlagworte: alejandro • Allen • Anne • Artem • Artificial • Artificial Intelligence • Berlinguette • Brgoch • cartwright • Chemistry • Clough • Courteanu • Curtis • David • Fischer • garth • Hirst • Hugh • Impact • Intelligence • Isayev • Jakoah • Jelfs • Jonathan • Joshua • Kim • Laino • Lawrence • learning • Liu • m • machine • Marquetand • Mizoguchi • Oganov • Olexandr • Pan • Peter • Philipp • Planche • R • Rae • Sadasivan • Serena • Shankar • Silvia • simpson • Speck • Staker • Teodoro • Teruyasu • Tim • Viti • Winkler • zhi
• ISBN-10: 1-83916-024-1 / 1839160241
• ISBN-13: 978-1-83916-024-0 / 9781839160240