AW: QSAR - SMART definition files

Dear Dr. Ooms
 
Please ask the MDL hotline at <mailto:hotline : mdl.com> hotline\a/mdl.com.
However, I am not quite sure what you mean by a definition file for
SMART. On the other hand I am not so familiar with SMART. I would say
what you are looking for is in the MDL Chemistry Rules Interface.
 
With best regards,
Alex
 
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-----Ursprüngliche Nachricht-----
Von: qsar_society-admin]_[accelrys.com
[mailto:qsar_society-admin#accelrys.com] Im Auftrag von Frédéric Ooms
Gesendet: Freitag, 24. Oktober 2003 14:48
An: qsar_society++accelrys.com
Betreff: QSAR - SMART definition files
 
Hello,
I am looking for the a file containing the SMART representation of :
H-bond accepting groups
H-bond donating groups
Reactive and toxic functional groups
If someone can help me.
Thanks a lot
Fred Ooms
---------------------------------------------------------------
Frédéric Ooms, Ph.D.
Chemistry Project Manager, Euroscreen S.A.
Rue Adrienne Bolland, 47
B-6041 Gosselies
Tel. +32 71 348 500
Fax: +32 71 348 519
Received on 2003-10-27 - 08:20 GMT