Data-driven multi-objective molecular design of ionic liquid with high generation efficiency on small dataset
Ionic liquids (ILs) are promising electrolytes or solvents for numerous applications owing to their unique properties. However, it is a challenge to design the ideal IL with the required properties. Variational autoencoders (VAEs) trained by significantly large datasets have shown good performance i...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier Ltd
2022
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| Subjects: | |
| Online Access: | View Fulltext in Publisher |