Journal of chemical information and modeling
Sep 1, 2021
Machine learning scoring functions for protein-ligand binding affinity have been found to consistently outperform classical scoring functions when trained and tested on crystal structures of bound protein-ligand complexes. However, it is less clear h...
BACKGROUND: Delays in the diagnosis of genetic syndromes are common, particularly in low and middle-income countries with limited access to genetic screening services. We, therefore, aimed to develop and evaluate a machine learning-based screening te...
Learning to act in an environment to maximise rewards is among the brain's key functions. This process has often been conceptualised within the framework of reinforcement learning, which has also gained prominence in machine learning and artificial i...
The effectiveness of machine learning models to provide accurate and consistent results in drug discovery and clinical decision support is strongly dependent on the quality of the data used. However, substantive amounts of open data that drive drug d...
Statistical methods in medical research
Sep 1, 2021
Machine learning algorithms are increasingly used in the clinical literature, claiming advantages over logistic regression. However, they are generally designed to maximize the area under the receiver operating characteristic curve. While area under ...
INTRODUCTION: Researchers and engineers have found their importance in healthcare industry including recent updates in patient-specific implant (PSI) design. CAD/CAM technology plays an important role in the design and development of Artificial Intel...
IEEE transactions on visualization and computer graphics
Sep 1, 2021
Recent advances in computational and algorithmic power are evolving the field of medical imaging rapidly. In cancer research, many new directions are sought to characterize patients with additional imaging features derived from radiology and patholog...
Journal of chemical theory and computation
Sep 1, 2021
Despite recent advances in the development of machine learning potentials (MLPs) for biomolecular simulations, there has been limited effort on developing stable and accurate MLPs for enzymatic reactions. Here we report a protocol for performing mach...
Changeover times are an important element when evaluating the Overall Equipment Effectiveness (OEE) of a production machine. The article presents a machine learning (ML) approach that is based on an external sensor setup to automatically detect chang...
Delivery mode and perinatal antibiotics influence gut microbiome composition in children. Most microbiome studies have used the sequencing of the bacterial 16S marker gene but have not reported the metabolic function of the gut microbiome, which may ...
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