Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
Recently, artificial intelligence (AI)-enabled de novo molecular generators (DNMGs) have automated molecular design based on data-driven or simulation-based property estimates. In some domains like the game of Go where AI surpassed human intelligence, humans are trying to learn from AI about the bes...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2022-12-01
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| Series: | Science and Technology of Advanced Materials |
| Subjects: | |
| Online Access: | https://www.tandfonline.com/doi/10.1080/14686996.2022.2075240 |