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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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Chem Inf Model
Egile Nagusiak: Green, Harrison, Durrant, Jacob D.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: American Chemical Society 2021
Sarrera elektronikoa: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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