What is behind Drugpredict? January 23 Volume 52 issue 1 of Journal of Chemical Information and Modeling can answer your questions.


DrugPredict.com is an online drug repositioning, discovery and development tool, featuring the following abilities:

Drug repositioning
Users can browse the database of the existing, FDA-approved small-molecule drugs in order to find new, hidden therapeutic applications for them. Searches can be performed from both sides: one can select a desired effect and look for potential candidates or pick up a drug and find its potential new applications. For checking the reliability of the predictions, our system provides the calculated probability values of the known, registered effects for each drug.

Drug development and discovery
We offer a set of almost 100,000 small-molecule compounds, including 20,444 natural compounds for browsing new drug candidates. Predictions were performed for each molecule entries, facilitating their application in the drug development pipeline. Moreover, users can input their own molecules by drawing the chemical structure, or, in case of a larger compound library, by uploading an ensemble file containing structural information for the whole set. DrugPredict.com will then perform the analyses required for effect prediction and inform the uploader about the progress.


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