AD – To recap: We have minidrugbank, it covers many useful edge cases, and we want to keep one or two examples of each. It also doesn’t catch everything, so we want to add some new molecules.
AD –
JW – Stack tracer is good
JW – Is z3 worth it for the complexity of the problem? It seems unlikely anyone else will be able to use it if we have to refer to molecules by hashes, etc
AD – There’s a python API to z3.
JW – That resolved my big concern
JW – The molecule comparison is good
Next steps
AD – Should I continue making this tool? I don’t think it’s in a production-ready state.
AD – Should I include the current stack in the features?
AD + JW – I don’t think this is necessary. There’s only one way to arrive at each line
JW – In light of wanting to get to making molecule input decisions,
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