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OPC-ontology / OPC

OPC: A formal ontology in the domain of process chemistry
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Competency Questions for the Ontology #19

Open schaferw opened 3 years ago

schaferw commented 3 years ago

This documents the competency questions derived for the ontology:

  1. What are defined roles for materials in a synthesis? (validation/look-up list for ELN)
  2. How has a particular compound been made in the past (starting materials and reagents)?
  3. What conditions have been used for a particular synthetic step (same starting materials, reagents and product) and what are the analytical results associated with it?
  4. What is the genealogy of a given batch? (intermediate batches as well as starting materials)
  5. What starting material and reagents were used in a particular batch? (Vendor and lot)
  6. What are the levels of impurities in starting materials for a step and what are the levels of those same impurities (or their degradants/reacted species in the product and waste streams? [fate and purge workflow]