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Beam Search for Automated Design and Scoring of Novel ROR Ligands with Machine Intelligence
Chemical language models enable de novo drug design without the requirement for explicit molecular construction rules. While such models have been applied to generate novel compounds with desired bioactivity, the actual prioritization and selection of the most promising computational designs remains...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8457062/ https://www.ncbi.nlm.nih.gov/pubmed/34165856 http://dx.doi.org/10.1002/anie.202104405 |