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Fingerprinting CANDO: Increased Accuracy with Structure- and Ligand-Based Shotgun Drug Repurposing

[Image: see text] We have upgraded our Computational Analysis of Novel Drug Opportunities (CANDO) platform for shotgun drug repurposing by including ligand-based, data fusion, and decision tree pipelines. The goal of shotgun drug repurposing is to screen and rank every existing human use drug or com...

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Bibliografische gegevens
Gepubliceerd in:ACS Omega
Hoofdauteurs: Schuler, James, Samudrala, Ram
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2019
Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6812124/
https://ncbi.nlm.nih.gov/pubmed/31656912
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.9b02160
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