GGA can use smiles to get an English name

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BenHua Xiao

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Sep 22, 2016, 2:24:27 AM9/22/16
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GGA can use smiles to get an English name?


 PHONE： 18661122312

Savelyev Alexander

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Sep 28, 2016, 7:53:14 AM9/28/16
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Dear BenHua Xiao,

Could you explain you question? Do you want to convert Structure to standard name (e.g. IUPAC)?

Thanks
Alexander

BenHua Xiao

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Sep 28, 2016, 8:51:57 PM9/28/16
to Savelyev Alexander, indigo-general
 Yes,I want to convert Structure to standard name (e.g. IUPAC).

Thanks 

Zest Rico

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Nov 26, 2020, 8:09:07 AM11/26/20
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Dear Alexander, 

You see what i mean about Indigo documentation : Nothing in the doc about this simple question, and  you did not give any response in the last four years to this question. 

I wish you a nice day.

Savelyev Alexander

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Dec 1, 2020, 11:29:12 AM12/1/20
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We have started to implement the name-to-structure feature since your request.  Unfortunately, there is no full implementation for IUPAC names yet

Currently, the following grammar elements are supported:

  • Alkanes (-enes, -ynes) and its derivatives
  • Locants expansion
  • Cyclic alkanes (-enes, -ynes) and its derivatives
  • Skeletal ‘a’ substitution
  • Basic elements (up to number 100)
  • Dictionary of trivial names (~150 names)
  • Relaxed vs. strict IUPAC grammar (penta-1,3-diene vs. 1,3-pentadiene)
Some documentation can be found here
With best regards
Aleksandr

Valery Tkachenko

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Dec 1, 2020, 10:00:21 PM12/1/20
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Take a look at OPSIN.

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Antony Williams

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Dec 3, 2020, 7:56:15 AM12/3/20
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Why not simply incorporate OPSIN Source Code: https://opsin.ch.cam.ac.uk/ as it's well proven and supported. 
Tony Williams
 
Phone: +1 (919) 201-1516
Email: tony...@gmail.com
Skype: tony27587
 




 


On Tue, Dec 1, 2020 at 11:29 AM 'Savelyev Alexander' via indigo-general <indigo-...@googlegroups.com> wrote:
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