CCL: software for de novo design by linking functional groups without known biotarget

["Barbault Florent" <florent.barbault[#]univ-paris-diderot.fr>]

 Sent to CCL by: "Barbault Florent"
 [florent.barbault]*[univ-paris-diderot.fr]
 Hi,
 Sybyl from Tripos (http://tripos.com/) is able do that. But
 it is far from being free!
 Hope this help
 Regards
 Florent Barbault
 On Fri, 12 Mar 2010 13:22:32 +0300
 "Andrew Voronkov drugdesign*yandex.ru" <owner-chemistry
 : ccl.net>
 wrote:
>  Sent to CCL by: Andrew Voronkov [drugdesign(_)yandex.ru]
>  Dear CCL users,
> I am interested in lagnd based drug design software which can
>  suggest different core structures for the know pahmracophore group
>  spatially fixed, so for example it can use some ligands to make
>  pharmacophores as LigBuilder and then link the functional grousp with
>  a number of core structures. As I can see LigBuilder only deos that
>  with known biotarget structure. It would be nice to find software
>  (better to be free for academics) which can grow core structure
>  without biotarget known (fragment screen can be used like in ReCore
>  in LeadIT and Brood OpenEye, but that s a bit different from totally
>  de novo design of core structure with only functional groups
>  remaining, right?).
>  Best regards,
>  Andrew
> -= This is automatically added to each message by the mailing script
>  =-
>  To recover the email address of the author of the message, please
>  change> Conferences:
>  http://server.ccl.net/chemistry/announcements/conferences/>;
>  
>  
 -------------------------------------------------
 Dr Florent Barbault
 Maitre de conferences / Assistant professor
 Universite Paris Diderot
 Laboratoire ITODYS
 15 rue Jean de Baïf, bâtiment Lavoisier
 75013 Paris FRANCE
 http://www.itodys.univ-paris7.fr/
 tel  : (33) 01-57-27-88-50
 e-mail : florent.barbault : univ-paris-diderot.fr
 -------------------------------------------------