Subject: Predicting feature properties....

From: [email-masked] (Andrew Smellie)
Date: Wed, 12 May 1999 17:55:53 -0700

Does anyone know of computational methods to predict
feature properties of small organic fragments. For example,
I'd like to be able to predict whether a heteroatom in
the context of molecule could act as a donor or acceptor?
Another example would be predicting hydrophobic
regions or atoms in the molecule.

I'd be happy to summarize all replies.

Thanks,

Andrew

--

Dr. Andrew Smellie,
CombiChem Inc.
1804 Embarcadero Road,
Palo Alto, CA 94303
Phone: (650)-842-0560
FAX: (650-842-0575
email: [email-masked]