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 sc...
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| Institutionell upphovsman: | |
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| Övriga upphovsmän: | , |
| Materialtyp: | Elektronisk E-bok |
| Språk: | engelska |
| Publicerad: |
Cham :
Springer International Publishing : Imprint: Springer,
2023.
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| Upplaga: | 1st ed. 2023. |
| Serie: | Challenges and Advances in Computational Chemistry and Physics,
36 |
| Ämnen: | |
| Länkar: | https://doi.org/10.1007/978-3-031-37196-7 |
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| 245 | 1 | 0 | |a Machine Learning in Molecular Sciences |h [electronic resource] / |c edited by Chen Qu, Hanchao Liu. |
| 250 | |a 1st ed. 2023. | ||
| 264 | 1 | |a Cham : |b Springer International Publishing : |b Imprint: Springer, |c 2023. | |
| 300 | |a X, 317 p. 80 illus., 74 illus. in color. |b online resource. | ||
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| 341 | 0 | |b Single logical reading order |2 onix | |
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| 347 | |a text file |b PDF |2 rda | ||
| 490 | 1 | |a Challenges and Advances in Computational Chemistry and Physics, |x 2542-4483 ; |v 36 | |
| 505 | 0 | |a An Introduction to Machine Learning in Molecular Sciences -- Graph Neural Networks for Molecules -- Voxelized representations of atomic systems for machine learning applications -- Development of exchange-correlation functionals assisted by machine learning -- Machine-Learning for Static and Dynamic Electronic Structure Theory -- Data Quality, Data Sampling and Data Fitting: A Tutorial Guide for Constructing Full-dimensional Accurate Potential Energy Surfaces (PESs) of Molecules and Reactions -- Machine Learning Applications in Chemical Kinetics and Thermochemistry -- Synthesize in A Smart Way: A Brief Introduction to Intelligence and Automation in Organic Synthesis -- Machine Learning for Protein Engineering. | |
| 520 | |a 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. | ||
| 532 | 8 | |a Accessibility summary: This PDF does not fully comply with PDF/UA standards, but does feature limited screen reader support, described non-text content (images, graphs), bookmarks for easy navigation and searchable, selectable text. Users of assistive technologies may experience difficulty navigating or interpreting content in this document. We recognize the importance of accessibility, and we welcome queries about accessibility for any of our products. If you have a question or an access need, please get in touch with us at accessibilitysupport@springernature.com. | |
| 532 | 8 | |a No reading system accessibility options actively disabled | |
| 532 | 8 | |a Publisher contact for further accessibility information: accessibilitysupport@springernature.com | |
| 650 | 0 | |a Machine learning. | |
| 650 | 0 | |a Artificial intelligence. | |
| 650 | 0 | |a Molecules |x Models. | |
| 650 | 0 | |a Chemistry, Physical and theoretical. | |
| 650 | 0 | |a Chemistry |x Data processing. | |
| 650 | 0 | |a Bioinformatics. | |
| 650 | 1 | 4 | |a Machine Learning. |
| 650 | 2 | 4 | |a Artificial Intelligence. |
| 650 | 2 | 4 | |a Molecular Modelling. |
| 650 | 2 | 4 | |a Theoretical Chemistry. |
| 650 | 2 | 4 | |a Computational Chemistry. |
| 650 | 2 | 4 | |a Computational and Systems Biology. |
| 700 | 1 | |a Qu, Chen. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
| 700 | 1 | |a Liu, Hanchao. |e editor. |4 edt |4 http://id.loc.gov/vocabulary/relators/edt | |
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| 776 | 0 | 8 | |i Printed edition: |z 9783031371950 |
| 776 | 0 | 8 | |i Printed edition: |z 9783031371974 |
| 776 | 0 | 8 | |i Printed edition: |z 9783031371981 |
| 830 | 0 | |a Challenges and Advances in Computational Chemistry and Physics, |x 2542-4483 ; |v 36 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/978-3-031-37196-7 |
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| 912 | |a ZDB-2-SXC | ||
| 950 | |a Chemistry and Materials Science (SpringerNature-11644) | ||
| 950 | |a Chemistry and Material Science (R0) (SpringerNature-43709) | ||