Similarity search with fingerprint rather than SMILES as query #99
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Hi Roman, sorry for the slowness and thanks for the contribution! It looks good to me. |
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Hi! I've created a pull request that addresses issue #73. Querying with fingerprints is particularly useful for retrieving molecules by fingerprints predicted from mass spectra using machine learning methods. This approach typically involves querying large databases like PubChem, perfectly fitting the purpose of the FPSim2 package.