Chemistry line notations from 1949 to today
How chemists write a molecule as one line of text, from WLN and SMILES to InChI and the notations made for machine learning, with caffeine as the running example.
inchi
One post tagged inchi.
One post tagged inchi.
How chemists write a molecule as one line of text, from WLN and SMILES to InChI and the notations made for machine learning, with caffeine as the running example.