Calculate similarity of popular bioisosters #RDKit #espsim #memo

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”

Make pptx file from Python #chemoinformatics #memo #python-pptx

I hope all reader enjoying chemoinformatics ;)Unfortunately I’m struggling to make PPTX file in this year. So I can’t have enought time to coding. But It’s same for medicinal chemists. Because they often make presentation slide for project team, theier boss, senior etc…. They transfer SAR data from spread sheet to pptx. Sometime it seemsContinue reading “Make pptx file from Python #chemoinformatics #memo #python-pptx”