Description list
Here you can know about PASS algorithm and how you can use PASS in your science reaserch. Our servise easy to use and prediction easy to validation.
Why PASS might be useful for you?
PASS gives you hits in the following:
Finding most probable new leads with required activity spectra among the compounds from in-house and commercial data bases.
Revealing new effects and mechanisms of action for the old substances in corporate and private data bases.
Providing the basis for selection of the most prospective compounds for high throughput screening from the set of available samples.
Determining the assays that are more relevant for a particular compound.
Limitations
The accuracy of PASS prediction for any type of activity is rather satisfactory when the number of compounds in the training set having the very kind of activity more than 5.
PASS approach can be applied to so-called "drug-like" substances.
PASS cannot predict the activity spectrum for essentially new compound if all its descriptors are new and so they don't occurre in the training set. If a compound has more then 2 new descriptors it is rather new and prediction results may be considered as pilot.
In some cases PASS predicts both agonist's and antagonist's (blocker and stimulator) actions simultaneously. Thus, only experiments can clarify the biological activity of a compound, but it has an affinity to appropriate receptor (enzyme).
PASS does not predict if the compound will become a drug, but helps to select the most prospective leads.