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Work: Molecular-Property Prediction with Sparsity

  1. Scikit-learn: Machine Learning in Python

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  3. Regression Shrinkage and Selection Via the Lasso

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  4. MoleculeNet: a benchmark for molecular machine learning

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  5. Regularization and Variable Selection Via the Elastic Net

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  6. Extended-Connectivity Fingerprints

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  7. Analyzing Learned Molecular Representations for Property Prediction

    Kevin Yang, Kyle L. Swanson, Wengong Jin +12

    Preprint20193 citations
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    Other2 citations
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