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Predictive Models to Identify Small Molecule Activators and Inhibitors of Opioid Receptors.
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Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods.
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Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era.
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SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules.
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J. Chem. Inf. Model., 2020
Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models.
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Bioactivity Signatures of Drugs vs. Environmental Chemicals Revealed by Tox21 High-Throughput Screening Assays.
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Complementary non-radioactive assays for investigation of human flap endonuclease 1 activity.
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