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What is iBioProVis?
iBioProVis is a tool which projects and visualizes compounds on 2D space based on their structural features in the context of their cognate targets. The inputs are pairs of ChEMBL target identifiers and the output is the 2D projection plot of the active compounds of the input targets. We employ a similarity-based approach where the assumption is that similar compounds have similar bioactivity profiles, therefore they bind similar protein targets. iBioProVis can be used for the following purposes:
investigation and analysis of how active compounds of different targets are distributed on a 2D space;
analyzing and predicting the bioactivity profiles of new/existing compounds based on the features of compounds whose bioactivity information are known;
drug repurposing by the identification of compounds that correspond to a defined 2D space. A compound projected close to a known drug may have properties of corresponding drug properties and can be a exploited for the targets of the corresponding drug;
an interactive web service where researchers can also input their compounds in SMILES strings and observe how they are projected along with the active compounds of selected targets.