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Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark
[Image: see text] Designing compounds with desired properties is a key element of the drug discovery process. However, measuring progress in the field has been challenging due to the lack of realistic retrospective benchmarks, and the large cost of prospective validation. To close this gap, we propo...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10268949/ https://www.ncbi.nlm.nih.gov/pubmed/37224003 http://dx.doi.org/10.1021/acs.jcim.2c01355 |