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chemical algorithms

Author:

John Buckingham

Date:

Friday, 12th Oct 2001 11:12

Views:

2,931 (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

•	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