Drug Discovery
DrugShot- A new web-based application to retrieve list of small molecules.
It is not an easy task to retrieve names of small molecules associated with a certain disease. A new web-based application is developed to retrieve a list of small molecules associated with a disease.
This is known as DrugShot [1]. DrugShot allows searching for a list of small molecules by simply entering a biomedical search term. It provides a prioritized list of small molecules mentioned in the abstracts of PubMed. DrugShot cross-references PMIDs with DrugRIF or AutoRIF to provide a ranked list of small molecules.
How does DrugShot work?
- User inputs a biomedical search term such as cancer, diabetes, etc.
- DrugShot looks for the search term in PubMed abstracts.
- It ranks the drugs/compounds according to the total co-mentions of the drugs and the search term from shared PubMed IDs.
- Selects the top predicted compounds are arranged in an unweighted drug set. Users are also allowed to submit their own unweighted set of drugs using the DrugShot augmentation option.
- A complete list of drugs is provided predicted from DrugRIF or AutoRIF literature co-mentions along with a list of drugs predicted from L1000 signature similarity.
DrugShot is freely accessible at https://maayanlab.cloud/drugshot/ and https://appyters.maayanlab.cloud/#/DrugShot. It can also be run locally on Linux, Windows, and Mac OSX [1].
For more information, read here.
References
- Kropiwnicki, E., Lachmann, A., Clarke, D.J.B. et al. (2022). DrugShot: querying biomedical search terms to retrieve prioritized lists of small molecules. BMC Bioinformatics 23, 76.
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Docking
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Docking
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Docking
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Docking
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Docking
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Algorithms
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