SCREENING FOR A LARGE NUMBER OF MOLECULES FOR LIPINSKI RULE?

Python Prescription - Virtual Screening Tool

[PyRx is no longer developed at MGL]

Moderator: sargis

Forum rules
[PyRx is no longer developed at MGL]

SCREENING FOR A LARGE NUMBER OF MOLECULES FOR LIPINSKI RULE?

Postby praveenkumarpgiindia » Wed Aug 17, 2016 5:29 pm

Hello PyRx users,

I am interested in screening large number of compund in PyRX ... I want to select only those compund which obey the Lipinski rule???? I want to know how to screen for Lipinski rule for a large number of molecule which are in sdf format???


I know that this option is not available in PyRX ... Please suggest an alternative.....
User avatar
praveenkumarpgiindia
Millimolar User
Millimolar User
 
Posts: 6
Joined: Mon May 09, 2016 11:29 am

Return to PyRx

Who is online

Users browsing this forum: Bing [Bot], Yahoo [Bot] and 4 guests