Autonomous discovery in the chemical sciences part II: Outlook
© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim This two-part Review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this second part, we reflect on a selection of exemplary studies. It is increasingly important to articulate what the ro...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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Wiley
2021
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| Online Access: | https://hdl.handle.net/1721.1/133420 |
| _version_ | 1826215559993229312 |
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| author | Coley, Connor W Eyke, Natalie S Jensen, Klavs F |
| author_facet | Coley, Connor W Eyke, Natalie S Jensen, Klavs F |
| author_sort | Coley, Connor W |
| collection | MIT |
| description | © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim This two-part Review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this second part, we reflect on a selection of exemplary studies. It is increasingly important to articulate what the role of automation and computation has been in the scientific process and how that has or has not accelerated discovery. One can argue that even the best automated systems have yet to “discover” despite being incredibly useful as laboratory assistants. We must carefully consider how they have been and can be applied to future problems of chemical discovery in order to effectively design and interact with future autonomous platforms. The majority of this Review defines a large set of open research directions, including improving our ability to work with complex data, build empirical models, automate both physical and computational experiments for validation, select experiments, and evaluate whether we are making progress towards the ultimate goal of autonomous discovery. Addressing these practical and methodological challenges will greatly advance the extent to which autonomous systems can make meaningful discoveries. |
| first_indexed | 2024-09-23T16:35:13Z |
| format | Article |
| id | mit-1721.1/133420 |
| institution | Massachusetts Institute of Technology |
| language | English |
| last_indexed | 2024-09-23T16:35:13Z |
| publishDate | 2021 |
| publisher | Wiley |
| record_format | dspace |
| spelling | mit-1721.1/1334202021-10-28T03:09:37Z Autonomous discovery in the chemical sciences part II: Outlook Coley, Connor W Eyke, Natalie S Jensen, Klavs F © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim This two-part Review examines how automation has contributed to different aspects of discovery in the chemical sciences. In this second part, we reflect on a selection of exemplary studies. It is increasingly important to articulate what the role of automation and computation has been in the scientific process and how that has or has not accelerated discovery. One can argue that even the best automated systems have yet to “discover” despite being incredibly useful as laboratory assistants. We must carefully consider how they have been and can be applied to future problems of chemical discovery in order to effectively design and interact with future autonomous platforms. The majority of this Review defines a large set of open research directions, including improving our ability to work with complex data, build empirical models, automate both physical and computational experiments for validation, select experiments, and evaluate whether we are making progress towards the ultimate goal of autonomous discovery. Addressing these practical and methodological challenges will greatly advance the extent to which autonomous systems can make meaningful discoveries. 2021-10-27T19:52:47Z 2021-10-27T19:52:47Z 2020 2021-06-09T15:59:40Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/133420 en 10.1002/ANIE.201909989 Angewandte Chemie - International Edition Creative Commons Attribution-Noncommercial-Share Alike http://creativecommons.org/licenses/by-nc-sa/4.0/ application/pdf Wiley arXiv |
| spellingShingle | Coley, Connor W Eyke, Natalie S Jensen, Klavs F Autonomous discovery in the chemical sciences part II: Outlook |
| title | Autonomous discovery in the chemical sciences part II: Outlook |
| title_full | Autonomous discovery in the chemical sciences part II: Outlook |
| title_fullStr | Autonomous discovery in the chemical sciences part II: Outlook |
| title_full_unstemmed | Autonomous discovery in the chemical sciences part II: Outlook |
| title_short | Autonomous discovery in the chemical sciences part II: Outlook |
| title_sort | autonomous discovery in the chemical sciences part ii outlook |
| url | https://hdl.handle.net/1721.1/133420 |
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