From owner-chemistry@ccl.net Tue Dec 31 05:43:00 2013 From: "Maria Saeed mariyasaeed|-|yahoo.com" To: CCL Subject: CCL: QSAR on MOE Message-Id: <-49491-131231053226-26238-om35ALVA4IZhmzWWEZWnJg++server.ccl.net> X-Original-From: Maria Saeed Content-Type: multipart/alternative; boundary="2138815387-186142381-1388485939=:17633" Date: Tue, 31 Dec 2013 02:32:19 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: Maria Saeed [mariyasaeed=-=yahoo.com] --2138815387-186142381-1388485939=:17633 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable In MOEalignment independent descriptors are specified because they have 2D = features.=0A- -=0ARegards,=0A=0AMaria Saeed.=0A=0A=0A=0A=0A=0AOn Tuesday, D= ecember 31, 2013 1:13 PM, Sobia Ahsan Halim sobia_halim~~yahoo.com wrote:=0A =0A=0ASent to CCL by: "Sobia Ahsan Halim" [sobi= a_halim[-]yahoo.com]=0AHi All,=0A=0AI am=0A using MOE for QSAR analysis, I = just need to know do we have to align =0Amolecules before QSAR on MOE like = we do on COMFA and CoMSIA or not.=0A=0AThanks in advance and Happy new year= =0A=0ASobia=0A=0A=0A=0A-=3D This is automatically added to each message by = the mailing script =3D-=0ATo recover the email address of the author of the= message, please change=0Athe strange characters on the top line to the % s= ign. You can also=0A= =0A=0A=0A=A0 =A0 =A0 http:/= /www.ccl.net/cgi-bin/ccl/send_ccl_message=0A=0AE-mail to administrators: CH= EMISTRY-REQUEST%ccl.net or use=0A=A0 =A0 =A0 http://www.ccl.net/cgi-bin/ccl= /send_ccl_message=0A=0A=0A=A0 =A0 =A0 http://www.ccl= .net/chemistry/sub_unsub.shtml=0A=0ABefore posting, check wait time at: htt= p://www.ccl.net=0A=0A=0AConferences: http://se= rver.ccl.net/chemistry/announcements/conferences/=0A=0ASearch Messages: htt= p://www.ccl.net/chemistry/searchccl/index.shtml=0A=0AIf your mail bounces f= rom CCL with 5.7.1 error, check:=0A=A0 =A0 =A0 http://www.ccl.net/spammers.= txt=0A=0A--2138815387-186142381-1388485939=:17633 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
In MOE alignment independent descriptors are specified = because they have 2D features.
- -
Regards,

Maria Sa= eed.



=
On Tuesday, December= 31, 2013 1:13 PM, Sobia Ahsan Halim sobia_halim~~yahoo.com <owner-chemi= stry%ccl.net> wrote:
=
Sent to CCL by: "Sobia Ahsan Halim" [sobia_halim[-]yahoo= .com]
Hi All,

I am= =0A using MOE for QSAR analysis, I just need to know do we have to align molecules before QSAR on MOE like we do on COMFA and CoMSI= A or not.

Thanks in advance and Happy = new year

Sobia



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