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Published August 18, 2019 | Version v1
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Machine Learning Models for Predicting Kinase Inhibitors with Different Binding Modes

  • 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.


Random forest (RF), support-vector machine (SVM), and deep neural network (DNN) models for predicting kinase inhibitors with different binding modes in X-ray structures are made available together with the data sets used for training and testing.

Please refer to READ_ME.txt for more information.


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