New preprint: Automated Quantum Chemistry for Estimating Nucleophilicity and Electrophilicity with Applications to Retrosynthesis and Covalent Inhibitors #compchem with Nicolai Ree and Andreas Göller Try it out here:

@ReeNicolai Wonderful!

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@ReeNicolai Can I ask as question about the front end. Why did you go with Ketcher instead of Kekule editor. I thought the latter was better suited for cheminformatics and a better front end for a beast of a back end. I may be wrong though.