Post #4275303

new blog: "Molecular Inorganics: SMILES, MDL molfile v3000, and InChIs" https://doi.org/10.59350/yhf27-fp921 "Both use the SMILES, but not all SMILES captures all the chemistry we need. And the InChI software needs an V3000 MDL Molfile. Thanks to John and other @cdk developers, there is good support for recent cheminformatics software, but I was not sure it had what I would need." Replies to this post show up in the blog. #chemistry #cheminformatics #inchi #openscience