• Multi-kernel linear mixed model with adaptive lasso for prediction analysis on high-dimensional multi-omics data

    7 days ago - By Oxford Journals

    AbstractMotivationThe use of human genome discoveries and other established factors to build an accurate risk prediction model is an essential step towards precision medicine. While multi-layer high-dimensional omics data provide unprecedented data resources for prediction studies, their corresponding analytical methods are much less developed.ResultsWe present a multi-kernel linear mixed model with adaptive lasso , a predictive modeling framework that extends the standard linear mixed models widely used in genomic risk prediction, for multi-omics data analysis. MKpLMM can capture not only...
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  • Generalized Born radii computation using linear models and neural networks

    7 days ago - By Oxford Journals

    AbstractMotivationImplicit solvent models play an important role in describing the thermodynamics and the dynamics of biomolecular systems. Key to an efficient use of these models is the computation of Generalized Born radii, which is accomplished by algorithms based on the electrostatics of inhomogeneous dielectric media. The speed and accuracy of such computations is still an issue especially for their intensive use in classical molecular dynamics. Here, we propose an alternative approach that encodes the physics of the phenomena and the chemical structure of the molecules in model...
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