In this study, the team applied a deep learning neural network (the foundations of our Cerella platform) to impute assay pIC50 values. It was shown to outperform other approaches such as traditional QSAR models, and provide predictions with excellent accuracy.
T. M. Whitehead, B. W. J. Irwin, P. Hunt, M. D. Segall, G. J. Conduit, J. Chem. Inf. Model., 2019, 59(3) pp. 1197-1204
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