Hi, I am trying to figure out the time complexity (Big O) of converting from OBMol to canonical smiles. I tried to look at the code but it looks too complex. (I am assuming "class OBMol2Cansmi" is the right place to look at.) Is there relevant documentation/paper on this? Does anyone know the time complexity?
I want to know this because getting canonical smiles takes up half of the running time of my reaction path searching program. Best, Xianghai
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