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Output chemical, structural, and pharmacokinetic information about a drug and return the most similar compounds based on SMILES strings.

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kaitlynrying/DrugSearchSite_BiocomputingProject

 
 

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This website allows users to search for a drug, which will output information about the drug (description, structure visualization, chemical information, SMILES string) and then identify the most similar drugs to the input by comparing SMILES strings. Data is compiled from multiple sources, and relevant information about chemical properties and biological activity is displayed.

This aims to provide a useful tool to researchers trying to learn about existing compounds (or screen for similar drugs) in one place without having to access multiple websites (or to help undergrads complete their organic chemistry pre-labs without sifting through Pubchem).

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Output chemical, structural, and pharmacokinetic information about a drug and return the most similar compounds based on SMILES strings.

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  • Python 65.5%
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