| Description |
1 online resource. |
| Physical Medium |
polychrome |
| Description |
text file |
| Series |
Theoretical and computational chemistry ; 17
|
|
Theoretical and computational chemistry ; 17.
|
| Bibliography |
Includes bibliographical references and index. |
| Contents |
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 mechanic 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 he (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 application sin 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. |
| Summary |
This book provides practical examples of machine learning applied to science to help researchers make an informed choice about using the method in chemistry. |
| Local Note |
eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America |
| Subject |
Chemistry -- Data processing.
|
|
Chemistry -- Data processing. |
|
Machine learning.
|
|
Machine learning. |
| Genre/Form |
Electronic books.
|
| Added Author |
Cartwright, Hugh M., 1948- editor.
|
| Other Form: |
Print version: Machine learning in chemistry. Cambridge : Royal Society of Chemistry, 2020 9781788017893 (OCoLC)1173575313 |
| ISBN |
9781839160233 (electronic book) |
|
1839160233 (electronic book) |
|
9781839160240 (electronic book) |
|
1839160241 (electronic book) |
|
9781788017893 |
|
1788017897 |
|
