I wanted to briefly document how I implemented mechanism matching in OpenOChem. When you draw a reaction mechanism or structure in ChemDoodle, using the API you have the option of exporting the structure(s) as MOLfile format or Chemdoodles JSON format. I utilize both of these. The Molfile only describes the molecular structures, while the JSON […]
Its been a pipe dream of mine for a while and it took some time, but its finally ready for public consumption (or at least testing). When you create a new ChemDoodle based question you can now choose “Mechanism (Complete)” sub-type and you students will have to reproduce the entire mechanism including reactants, intermediates, products […]
The OOC team will be hosting an OpenOChem workshop at the 2018 Biennial Conference on Chemical Education (BCCE). There’s only limited seating so get registered soon! See you all at BCCE!