Knowledge Base

Article ID: 262 - Last Modified: May 9, 2011

Is there any command-line methodology to construct a QSAR model for an alignment generated by a third party program, without doing hypothesis creation by Phase?

Yes. you can use $SCHRODINGER/phase_qsar. In addition to the aligned structures, you will have to set up a keyword/value pair input file for the job. Please contact help@schrodinger.com for a set of example files that can be used for guidance in setting up the job.

This type of job can also be run from Maestro: Applications → Phase → Individual QSAR Model.

Keywords: Phase, QSAR, existing alignment, Maestro

Back to Search Results

Was this information helpful?

What can we do to improve this information?


To ask a question or get help, please submit a support ticket or email us at help@schrodinger.com.
Knowledge Base Search

Type the words or phrases on which you would like to search, or click here to view a list of all
Knowledge Base articles