Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery di Austen Bernardi, W. F. Drew Bennett, Stewart He, Derek Jones, Dan Kirshner, Brian J. Bennion, Timothy S. Carpenter

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Evaluating point-prediction uncertainties in neural networks for protein-ligand binding prediction di Ya Ju Fan, Jonathan E. Allen, Kevin S. McLoughlin, Da Shi, Brian J. Bennion, Xiaohua Zhang, Felice C. Lightstone

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HDBind: encoding of molecular structure with hyperdimensional binary representations di Derek Jones, Xiaohua Zhang, Brian J. Bennion, Sumukh Pinge, Weihong Xu, Jaeyoung Kang, Behnam Khaleghi, Niema Moshiri, Jonathan E. Allen, Tajana S. Rosing

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