Implement check if one molecule is a derivative of another

RECETOX / gc-meox-tms

MIT License

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Implement check if one molecule is a derivative of another #30

Open hechth opened 8 months ago

hechth commented 8 months ago

It would be great to have a function to check if one molecule is a dervivatized version of the other one - this could be useful to extract groups of derviatives etc.