From 1b58327278038a1111a88c521e6992c15e0b17ea Mon Sep 17 00:00:00 2001 From: Ranke Johannes Date: Mon, 5 Aug 2024 18:41:45 +0200 Subject: Set identifiers to NA if not initialized, add NEWS --- docs/news/index.html | 57 ++++++++++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 57 insertions(+) create mode 100644 docs/news/index.html (limited to 'docs/news/index.html') diff --git a/docs/news/index.html b/docs/news/index.html new file mode 100644 index 0000000..68cf526 --- /dev/null +++ b/docs/news/index.html @@ -0,0 +1,57 @@ + +Changelog • chents + Skip to contents + + +
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Changelog

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version 0.3.6

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  • 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.
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