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q-bio.BM2020★ 1 cited
Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions
Vladimir Golkov, Alexander Becker, Daniel T. Plop +6
Computer-aided drug discovery is an essential component of modern drug development. Therein, deep learning has become an important tool for rapid screening of billions of molecules…
q-bio.BM2017
3D Deep Learning for Biological Function Prediction from Physical Fields
Vladimir Golkov, Marcin J. Skwark, Atanas Mirchev +5
Predicting the biological function of molecules, be it proteins or drug-like compounds, from their atomic structure is an important and long-standing problem. Function is dictated…