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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...
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| Pubblicato in: | J Chem Inf Model |
|---|---|
| Autori principali: | , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical
Society
2021
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8243318/ https://ncbi.nlm.nih.gov/pubmed/34029094 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.1c00103 |
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