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Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
[Image: see text] Fragment merging is a promising approach to progressing fragments directly to on-scale potency: each designed compound incorporates the structural motifs of overlapping fragments in a way that ensures compounds recapitulate multiple high-quality interactions. Searching commercial c...
| 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/PMC10268959/ https://www.ncbi.nlm.nih.gov/pubmed/37229647 http://dx.doi.org/10.1021/acs.jcim.3c00276 |