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Incorporating Target-Specific Pharmacophoric Information into Deep Generative Models for Fragment Elaboration
[Image: see text] Despite recent interest in deep generative models for scaffold elaboration, their applicability to fragment-to-lead campaigns has so far been limited. This is primarily due to their inability to account for local protein structure or a user’s design hypothesis. We propose a novel m...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9131447/ https://www.ncbi.nlm.nih.gov/pubmed/35499971 http://dx.doi.org/10.1021/acs.jcim.1c01311 |