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by ElFitz
4 days ago
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From what I found, current state of the art on modelling "reaction space" with graphs that is to use "hypergraphs" where edges can lead to more than one node[^0]. But I am just someone who got curious; not even an amateur ^^’ [0]: https://pubs.acs.org/doi/10.1021/acs.jcim.5c00265 |
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