Reactions and retrosynthesis from 1985 to today
How reactions are written down and searched backwards, from RXN files, reaction SMILES and SMIRKS to the USPTO and ORD datasets and open retrosynthesis tools.
notations
2 posts tagged notations.
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.