Subject: CombiChem + Synthesizer

From: "Jianhui Wu" <[email-masked]>
Date: Thu, 11 May 2000 16:13:53 -0400

Dear All,

I am seeking for advice from people which apply computional chemistry in
combinatorial chemistry and have experience in organic synthesizer.

(1) What software do you use?
We are looking for a software that can generate combinatorial library
according to the binding site of recepter (vdw, electrostatic,
solvation). A designed compound will be useful only when it can be made
in the lab. The construction of each compound should therefore comply
with known organic reaction rules. The library will perhaps be screened
by docking study (virtual screen) to obtain top 100-200 candiates for
organic synthesizer. Do you cluster the library and virtually screen
each sublibrary? What property people usually use to cluster a library?

(2) Which model of synthesizer do you use?
We are looking for a small organic synthesizer that have 20-40 vessels,
capable of doing Solid phase/solution phase reaction and temperature can
be adjusted. In other words, it should be cheap and still can do the job
although it is small. If you have experience on this kind of parallel
organic synthesizer, please give me some advice (what model, from which
company, is it really doing the job?).

Thanks a lot,

Jian Hui Wu
Institute Armand-Frappier
531 Boul des prairies
Laval, Quebec H7N 4Z3

Phone: 1-450-687-5010 ext 4329
Fax:     1-450-686-5501, 1-450-9780198
email:  [email-masked]