Augmenting optimization-based molecular design with graph neural networks
| Autor: | Zhang, Shiqiang, Campos, Juan S., Feldmann, Christian, Sandfort, Frederik, Mathea, Miriam, Misener, Ruth |
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| Zdroj: | In Computers and Chemical Engineering July 2024 186 |
| Databáze: | ScienceDirect |
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Full Text from ScienceDirect