Subject: Re: CCL:Solubility of substance in water, ethanol, methanol and DMSO?

From: "Dr. Andreas Klamt" <[email-masked]>
Date: Sat, 14 Apr 2001 19:03:09 +0200

Dear Alexey,

our COSMOtherm software, which is based on DFT/COSMO calculations can just do these calculations. You only have to do the
DFT/COSMO calulations (with DMol, Turbomole, or very soon with Gaussian) for the solutes and for the solvents, and then
COSMOtherm can do solubility calculations within a second.

Unfortunately it is not free. We are a small startup company and we are living from these developments.

Best regards

Andreas

Alexey Lagunin schrieb:
> 
> Dear Colleges,
> 
> Could you advise me if there is any software, which can estimate the
> solubility of substance in water, ethanol, methanol and DMSO on the
> basis of structural formulae? And is there any one at free Internet
> access?
> 
> Please, send your answers to Alexey Lagunin: [email-masked]
> 
> Thank you in advance.
> 
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