I would like to convert smiles string which has Cl or Br atoms convert to new one which has L as Cl and R as Br. I wrote simple code for my note. Result was.. OK. If I use vectrize function the performance will be increased.
blog of personal interest
I would like to convert smiles string which has Cl or Br atoms convert to new one which has L as Cl and R as Br. I wrote simple code for my note. Result was.. OK. If I use vectrize function the performance will be increased.