Difference between revisions of "PASS analysis"
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Revision as of 15:24, 4 April 2013
Prediction of biological activity spectra for organic compounds on the basis of their structural formulae
Parameters:
- Input structure(s) – Input structure(s), SDfile Symyx V2000 and/or V3000 format only
- Output name – Output name
- SAR Base – SAR Base
- Activities – List of activities
- Activities file – File containing list of activities
- Selection criterion – Choose the Pa or Pi value to define the selection criterion for predicted activities. Only activities with Pa value greater than or with Pi value less than the chosen threshold will be given in the predicted activity spectra.
- Only selected compounds – Include only selected compounds into output. Selected compound is that with one or more predicted activities
