[QSAR] WLN to SMILES

[List for Members of Cheminformatics and QSAR Society]

Hi Ben

In the late '70s we (at Pomona College Medicinal Chemistry Project)  
developed such a program and licensed it to Molecular Designs Ltd.   
They converted WLN files for a number of companies in the following  
decade or so.  I hope they may have archived that program where it can  
be retrieved.  Unfortunately, when the college restored the chemistry  
department, all the old  tapes on which the program was stored "turned  
up missing".  I still include WLN for all the structures entered into  
BioByte's Masterfile (~63,000), because we use them for a special kind  
of similarity searching routine.  As far as I know, I am the only one  
one the planet still actively writing WLNs.

Sorry I can be of more help.

Al Leo
On Sep 12, 2007, at 12:08 AM, List for Members of Cheminformatics and  
QSAR Society wrote:

> Hi,
>
> Does anyone know of an application that can convert WLN strings to  
> SMILES or mol files?
> Preferably something you don't have to buy an entire suite of SW to  
> get access to.
>
> Thanks in advance,
>
> BEN
>
>  -----------------------------------------
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