A PASS application is illustrated by the example of prediciting the activity spectrum for LEVAMISOLE (Pa and Pi are the calculated probabilities for presence and absence of each activity). LEVAMISOLE has been launched as antihelmintic in 1969 and as immunomodulator in 1980. The known activities are found in LEVAMISOLE's activity spectrum and even some new activities are predicted. Predicted activity spectrum broadens the potential of the compound.
PASS
Pro - Prediction of Activity Spectra for Substances
Copyright Ó
1998-1999 V.V.Poroikov, D.A.Filimonov & Associates
Chemical Structure File: levamisole.mol
> <ACTIVITY_PREDICTION>
25 Substructure
descriptors; 0
new.
46 Possible
activities.
| Pa | Pi | for Activity: |
| 0.848 | 0.004 | Immunostimulant |
| 0.818 | 0.004 | Antihelmintic |
| 0.773 | 0.004 | Anorexic |
| 0.755 | 0.001 | Succinic dehydrogenase inhibitor |
| 0.758 | 0.007 | Spasmogenic |
| 0.744 | 0.004 | Acetylcholine nicotinic agonist |
| 0.694 | 0.009 | Immunomodulator |
| 0.575 | 0.011 | Immunosuppressant |
| 0.566 | 0.005 | Alpha adrenoreceptor agonis |
| 0.539 | 0.015 | Muscle relaxant |
| 0.533 | 0.014 | Skeletal muscle relaxant |