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DeepFrag: An Open-Source Browser App for Deep-Learning Lead Optimization
[Image: see text] Lead optimization, a critical step in early stage drug discovery, involves making chemical modifications to a small-molecule ligand to improve properties such as binding affinity. We recently developed DeepFrag, a deep-learning model capable of recommending such modifications. Thou...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8243318/ https://www.ncbi.nlm.nih.gov/pubmed/34029094 http://dx.doi.org/10.1021/acs.jcim.1c00103 |