Evaluate potential anti-aging activities for drug-like compound
PASS GERO input is the structural formula of the analyzed compound loaded by any of the three proposed options.
You may use the Marvin JS editor for drawing your molecule. Marvin JS runs in any HTML5-capable browser without any plugin. Rules
Also, you may load structure using a SMILES string. If the structure belongs to an existing drug, it can be identified by the drug International Nonproprietary Name.
Using drop-down menus, select the desirable anti-aging activities category and define the cutoff. By default, all activities with Pa>Pi are considered as probable; to increase the chance for experimental confirmation, you may choose the cutoff Pa>0.5.
Choose an option to apply the structural formula:
Rapamicin
Prediction results is the list of the probable anti-aging activities with two probabilities Pa and Pi (belonging to the classes of “actives” and “inactives”, respectively) at the chosen cutoff value. Also, IAP (Invariant Accuracy of Prediction) values estimated by leave-one-out cross-validation for each predicted activity are provided. You can save the prediction results as PDF, CSV or Excel files. Also, you can copy the prediction results and paste it in your documents. To interpret the prediction results, read carefully the Interpretation section.
Results Loading
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| Pa | Pi | Activity | IAP, LOO CV |
|---|---|---|---|
| Pa | Pi | Activity | IAP, LOO CV |
Stolbov L.A., Rudik A.V., Lagunin A.A., Druzhilovskiy D.A., Filimonov D.A., Poroikov V.V.
In silico assessment of potential geroprotectors: from separate endpoints to complex pharmacotherapeutic effects. Journal of Cheminformatics, 2025. Submitted.
https://www.way2drug.com/gero