On Feb 16, 2010, at 3:56 PM, Peter Murray-Rust wrote:
> Yes frequently. Daylight have consistently refused to publish algorithms.
I assume you mean the canonicalization algorithm. As that algorithm
does not affect the use of SMILES as a chemical exchange format (for
example, OpenSMILES does not give any canonicalization algorithm either).
I don't see the relevancy here.
The SMILES format itself has always been open.
> MDL were incredibly secretive and possessive about the MOL-file format.
I thought the first version was published in a journal article, and
for the last 10 years I've not had problems getting the spec. There
was a period where I had to give them my contact details, but that
changed years ago.
Because you say "were", does that mean the MDL format now is open?
Andrew
[email protected]
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