A new function of rdkit201909 #RDKit #Chemoinformatics

Last week, I got cool information that new version of rdkit is available by installing conda! You can check new feature in ReleaseNotes in original repo,https://github.com/rdkit/rdkit/blob/master/ReleaseNotes.md I installed RDKit201909 now and am reading document now. MolHash function originally developed from nextmove software is implemented in the version.[RDKit Document]https://www.rdkit.org/docs/source/rdkit.Chem.rdMolHash.html[Nextmove software]https://nextmovesoftware.github.io/molhash/commandline.html#usage MolHash can generates some hashes ofContinue reading “A new function of rdkit201909 #RDKit #Chemoinformatics”