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chemical algorithms
Author:	John Buckingham
Date:	Friday, 12th Oct 2001 11:12
Views:	1,876 (excluding Digests and RSS feeds)
URL:	http://www.freepint.com/go/b13336
I'm trying to track down the algorithm(s) for predicting the number of theoretically possible chemical structures from the molecular formula. Not sure whether it is on the web at all...are there any kind-hearted chemists out there who can save me a vast amount of time by pointing me in the right direction?

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Topic	Author	Date	ID
chemical algorithms I'm trying to track down the algorithm(s) for predicting the number of theoretically possible chemical structures from the molecular formula. ...	John Buckingham	12/10/01 11:12	13336
Re: chemical algorithms Hi John A colleague, who is a chemist, thinks that a programme called Cerius2 from Accelrys might be what you need ...	Peter Carter	17/10/01 09:12	13394
Re: chemical algorithms Peter, thanks very much for your efforts on this. I had not heard of Cereus and will try this first. ...	John Buckingham	17/10/01 09:24	13395

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