We need a parsing tool which processes the structure files from the records automatically. This issue is related to discussions in #10 and #12.
Schymane:
We cannot produce structures from InChIKeys, but rather from the SMILES or InChI fields, both of which are compulsory.
If these are “NA” or similar, then the structural information doesn’t exist and thus we can’t plot a structure anyway.
The idea of working off SMILES would be that we may also be able to render from generic SMILES …
tsufz
commented
7 years ago
We need a parsing tool which processes the structure files from the records automatically. This issue is related to discussions in #10 and #12.
Schymane: