New fingerprint/MinHash FingerPrint #RDKit #Chemoinformatics

Recently I found an article that describe new method for fast fingerprint calculation. You can read the article from chemrxiv, URL is below. https://chemrxiv.org/articles/A_Probabilistic_Molecular_Fingerprint_for_Big_Data_Settings/7176350 They used MinHash method. MinHash method is the way to estimate jaccard similarity very efficiently. The authors developed MHFP (MinHash Fingerprint) and compared the performance with ECFP4. ”’ ? MinHash ?Continue reading “New fingerprint/MinHash FingerPrint #RDKit #Chemoinformatics”

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