Re: ORGLIST:combinatorial/retrosynthesis

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From: Rong Chen (chen$##$lhasa.harvard.edu)
Date: Mon May 03 2004 - 13:24:33 EDT


Dear Srinivas,

LHASA group at Harvard University develops tools for the synthetic organic
chemist. Retrosynthetic analysis program LHASA has been under
development since late 60s. We also have a number of new developments
including LCOLI (LHASA for Compound Libraries), LCOLI works in the
opposite direction from its parent program, LHASA, running the transforms
in the LHASA knowledge base in the synthetic direction, to generate
products from reactants. In single-reactant mode, LCOLI uses the
knowledge base to generate multiple products. In multiple-reactant
mode, structures in two files can be reacted pairwise to create virtual
combinatorial libraries.

Details are on our website, http://lhasa.harvard.edu, where you can
also obtain information about LHASA and about DEREK, our toxicology
prediction program. If you have more question concerning the program, pls
feel free to contact me.

Best Wishes,

Rong Chen
------------------------
Research Manager
LHASA Group
Harvard University
617-4952654 (O)
http://lhasa.harvard.edu
-------------------------

On Sun, 2 May 2004, srinivas reddy wrote:

> dear all,
>
> can anybody suggest about the combinatorial chemistry
> and/or retrosynthesis related links or softwares (with
> low cost or free) for making the libraries of organic
> molecules of biological interest.
>
> thanks in advance
>
> regards
>
> Srinivas
>
>
>
>
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