It will take 3 years after changing job. Fortunately, I’m still working at early drug discovery field as chemoinformatician ;) As many drug hunter know that bioisosteric replacement is one of the major way for designing novel molecules from known biologically active molecules. Transformations from carboxylic acid to tetorazole, from amide to oxazole are majorContinue reading “Calculate similarity of popular bioisosters #RDKit #espsim #memo”