Generating molecules with optimized aqueous solubility using iterative graph translation
While molecular discovery is critical for solving many scientific problems, the time and resource costs of experiments make it intractable to fully explore chemical space. Here, we present a generative modeling framework that proposes novel molecules that are 1) based on starting candidate structure...
| Main Authors: | , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Royal Society of Chemistry (RSC),
2022-01-24T15:28:03Z.
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| Subjects: | |
| Online Access: | Get fulltext |