Computer-aided multi-objective optimization in small molecule discovery
Molecular discovery is a multi-objective optimization problem that requires identifying a molecule or set of molecules that balance multiple, often competing, properties. Multi-objective molecular design is commonly addressed by combining properties of interest into a single objective function using...
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier BV
2025
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| Online Access: | https://hdl.handle.net/1721.1/158193 |