Big data and artificial intelligence modeling for drug discovery

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ChEMBL: a large-scale bioactivity database for drug discovery

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Beware of q2!

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Principles of early drug discovery

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A comprehensive map of molecular drug targets

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Principles of QSAR models validation: internal and external

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The Path to Personalized Medicine

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BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology

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Impact of high-throughput screening in biomedical research

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DeepTox: toxicity prediction using deep learning

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The GPU Computing Era

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Missing data and multiple imputation in clinical epidemiological research

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Similarity-based virtual screening using 2D fingerprints

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Protein–Ligand Scoring with Convolutional Neural Networks

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Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

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Low Data Drug Discovery with One-Shot Learning

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From machine learning to deep learning: progress in machine intelligence for rational drug discovery

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On Outliers and Activity CliffsWhy QSAR Often Disappoints

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Deep Learning in Drug Discovery

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