Invited for this month's cover picture is the group of Prof. Dr. Gisbert Schneider from the Swiss Federal Institute of Technology (ETH) Zurich (Switzerland). The cover picture illustrates the application of machine-learning methods to expand the chemical space of farnesoid X receptor (FXR)-targeting small molecules, by employing an ensemble of three complementary machine-learning approaches (counter-propagation artificial neural network, k-nearest neighbor learner, and three-dimensional pharmacophore model). Read the full text of their Full Paper at 10.1002/open.201800156.
Bibliographical noteFunding Information:
This research was financially supported by the Swiss National Foundation (grant no. IZSEZ0 177477). D.M. was supported by an ETH Zurich Postdoctoral Fellowship (grant no. 16-2 FEL-07).
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