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Diffstat (limited to 'NEWS.md')
-rw-r--r-- | NEWS.md | 4 |
1 files changed, 4 insertions, 0 deletions
@@ -0,0 +1,4 @@ +## version 0.3.6 + +- R/chent.R: Set the fields `smiles`, `inchikey` and `mw` to NA if these fields are still NULL at the end of the initialization, with `source` attribute set to "user", assuming that the initialisation was carefully done and `pubchem` and `rdkit` were skipped because the structure is not well-defined. + |