Defining and Exploring Chemical Spaces
Designing functional molecules with desirable properties is often a challenging, multi-objective optimization. For decades, there have been computational approaches to facilitate this process through the simulation of physical processes, the prediction of molecular properties using structure–propert...
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| Format: | Article |
| Language: | English |
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Elsevier BV
2021
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| Online Access: | https://hdl.handle.net/1721.1/131238 |