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20202023
most citedHD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations

9 citations · 10 across the 3 of their papers we have counts for

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cs.LG2022

Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery

Ya Ju Fan, Jonathan E. Allen, Kevin S. McLoughlin +4

Neural Network (NN) models provide potential to speed up the drug discovery process and reduce its failure rates. The success of NN models require uncertainty quantification (UQ) a…