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Automation


We would like to automate as much as possible the processes in UsefulChem. One of our grad students, Dave Strumfels, has done a lot using VBA in Excel to process the molecules blog. See here for the most recent update. Downloads are available from here.
These are some of the processes that we would like to automate:
  1. Conversion of chemical information formats. Provide scripts that will at least assist people processing the molecule blog. For example see Ruslan's contribution.
  2. Synthesis design: it would be useful to have Computer Assisted Organic Synthesis programs suggest syntheses of the compounds without a commercial source that are added to the molecule blog.
  3. Web Services (e.g. Rajarshi Guha's examples) (SMILES -> molecular weight, molecular formula, jpeg)


References

  1. Rzepa publications on CML