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Publication ● 31 Aug 2020 ● ACS J. Chem. Inf. Model., 2020
Emulating Docking Results Using a Deep Neural Network: A New Perspective for Virtual Screening In this work, we investigate the feasibility of learning a deep neural network to predict the docking output directly from a two-dimensional compound structure.Contact us today to find out more about what we do and how we do it. Prototype testing available on request.