13321_2019_340_MOESM1_ESM.pdf (402.13 kB)
Additional file 1 of Automated simultaneous assignment of bond orders and formal charges
Version 2 2020-07-21, 05:11
Version 1 2019-03-07, 07:18
journal contribution
posted on 2020-07-21, 05:11 authored by Ivan D. Welsh, Jane R. AllisonAdditional file 1. Calculated atom and bond score tables, and canonical SMILES strings of the test molecules.
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