@dalkescientific @Angelo_Frei @kmjablonka @rapodaca @Nfdi4Chem Classical test cases are here, also including "non-chemical" graphs: https://t.co/1dP1roO5Da https://t.co/qNYRyyHcZp
@rapodaca It seems to me that it would be appropriate to refer to my article: https://t.co/AVaXOjOMkS
RT @jcheminf: new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs an…
RT @jcheminf: new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs an…
RT @jcheminf: new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs an…
RT @jcheminf: new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs an…
RT @jcheminf: new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs an…
new: "Atomic ring invariant and Modified CANON extended connectivity algorithm for symmetry perception in molecular graphs and rigorous canonicalization of SMILES" https://t.co/GAPygborFC https://t.co/3SWgBxREyK