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. 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”