TY  - GEN 
AU  - Merkys, Andrius
AU  - Quirós Olozábal, Miguel
PY  - 2023
UR  - https://hdl.handle.net/10481/80924
AB  - Published reports of chemical compounds often contain multiple machine-readable descriptions which may supplement
each other in order to yield coherent and complete chemical representations. This publication presents a
method to cross-check such...
LA  - eng
PB  - BMC
KW  - Molecular graphs
KW  - Graph isomorphism
KW  - SMILES
KW  - Crystallography Open Database
TI  - Graph isomorphism‑based algorithm for cross‑checking chemical and crystallographic descriptions
DO  - 10.1186/s13321-023-00692-1
ER  -