Prioritization of Unknown LC-HRMS Features Based on Predicted Toxicity Categories. [PDF]
Turkina V+7 more
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BRAFPred: A Novel Approach for Accurate Prediction of the B-Type Rapidly Accelerated Fibrosarcoma Inhibitor. [PDF]
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Prediction of Respiratory Irritation and Respiratory Sensitization of Chemicals Using Structural Alerts and Machine Learning Modeling. [PDF]
Chushak Y, Keebaugh A, Clewell RA.
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Molecular Simulation Study on the Impact of a Cross-Linked Network Structure on the Tensile Mechanical Properties of PBT Substrates. [PDF]
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The role of cytoplasmic mRNA polyadenylation in the pathogenesis of Osteogenesis imperfecta
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Toward automated and explainable high-throughput perturbation analysis in single cells. [PDF]
Gonzalez-Ferrer J, Mostajo-Radji MA.
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Uncertainty quantification with graph neural networks for efficient molecular design. [PDF]
Chen LY, Li YP.
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Construction of reliable QSPR models for predicting the impact sensitivity of nitroenergetic compounds using correlation weights of the fragments of molecular structures. [PDF]
Lotfi S+3 more
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PAH101: A GW+BSE Dataset of 101 Polycyclic Aromatic Hydrocarbon (PAH) Molecular Crystals. [PDF]
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