Dear Nina,

In my opinion, CDK is the most correct for sensing. On the other hand, CDK
has some bugs with SMILES periodically . So, I daresay CACTVS do for SMILES
in complex apps.

Best regards,
Dmitry

-----Original Message-----
From: development-bounces at opentox.org
[mailto:development-bounces at opentox.org] On Behalf Of Nina Jeliazkova
Sent: Saturday, July 10, 2010 2:06 PM
To: opentox development mailing list
Subject: Re: [OTDev] Classified + Urgent

On Sat, Jul 10, 2010 at 12:41 AM, Rajarshi Guha
<rajarshi.guha at gmail.com>wrote:

> Missing aromaticity
>
>
Yes, here is a comparison between The CDK , Daylight and CACTVS structure
diagrams, generated from the same smiles:

http://apps.ideaconsult.net:8080/ambit2/depict?search=c1cccccc1ccccc

Could someone tell which is the (most) correct one ?

Regards,
Nina



>
> On Jul 9, 2010, at 4:20 PM, chung wrote:
>
>  Hi All,
>>  Take a look at the screenshot (attached)... Depiction automatically
>> generated by AMBIT WS...
>>
>> Cheers,
>> NTUA Development Team
>> <Screenshot.png>_______________________________________________
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>
> ----------------------------------------------------
> Rajarshi Guha        | NIH Chemical Genomics Center
> http://www.rguha.net | http://ncgc.nih.gov
> ----------------------------------------------------
> Gravity brings me down.
>
>
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