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Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules by Norberto Sánchez-Cruz; José L. Medina-Franco is a Chemistry article available to read on EtoBox.

What is Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules about?

The identification of protein targets of small molecules is essential for drug discovery. With the increasing amount of chemogenomic data in the public domain, multiple ligand-based models for target prediction have emerged. However, these models are generally biased by the number of known ligands for different targets, which involves an under-representation of epigenetic targets, and despite the increasing importance of epigenetic targets in drug discovery, there are no open tools for epigenetic target prediction. In this work, we introduce Epigenetic Target Profiler (ETP), a freely accessible and easy-to-use web application for the prediction of epigenetic targets of small molecules. For a query compound, ETP predicts its bioactivity profile over a panel of 55 different epigenetic targets. To that aim, ETP uses a consensus model based on two binary classification models for each target, relying on support vector machines and built on molecular fingerprints of different design. A distance-to-model parameter related to the reliability of the predictions is included to facilitate their interpretability and assist in the identification of small molecules with potential epigenetic act

Who reads Epigenetic Target Profiler: A Web Server to Predict Epigenetic Targets of Small Molecules?

Author

Norberto Sánchez-Cruz; José L. Medina-Franco

Publisher

American Chemical Society (ACS)

Published

2021

Language

EN

Field

Chemistry (Physical Sciences)