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Predicting Organ Toxicity Using in Vitro Bioactivity Data and Chemical Structure.

Chemical research in toxicology
Animal testing alone cannot practically evaluate the health hazard posed by tens of thousands of environmental chemicals. Computational approaches making use of high-throughput experimental data may provide more efficient means to predict chemical to...

Exposome-Scale Investigations Guided by Global Metabolomics, Pathway Analysis, and Cognitive Computing.

Analytical chemistry
Concurrent exposure to a wide variety of xenobiotics and their combined toxic effects can play a pivotal role in health and disease, yet are largely unexplored. Investigating the totality of these exposures, i.e., the "exposome", and their specific b...

On neuromechanical approaches for the study of biological and robotic grasp and manipulation.

Journal of neuroengineering and rehabilitation
Biological and robotic grasp and manipulation are undeniably similar at the level of mechanical task performance. However, their underlying fundamental biological vs. engineering mechanisms are, by definition, dramatically different and can even be a...

Multiobjective differential evolution-based multifactor dimensionality reduction for detecting gene-gene interactions.

Scientific reports
Epistasis within disease-related genes (gene-gene interactions) was determined through contingency table measures based on multifactor dimensionality reduction (MDR) using single-nucleotide polymorphisms (SNPs). Most MDR-based methods use the single ...

Development of A Machine Learning Algorithm to Classify Drugs Of Unknown Fetal Effect.

Scientific reports
Many drugs commonly prescribed during pregnancy lack a fetal safety recommendation - called FDA 'category C' drugs. This study aims to classify these drugs into harmful and safe categories using knowledge gained from chemoinformatics (i.e., pharmacol...
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A hierarchical structure for human behavior classification using STN local field potentials.

Journal of neuroscience methods
BACKGROUND: Classification of human behavior from brain signals has potential application in developing closed-loop deep brain stimulation (DBS) systems. This paper presents a human behavior classification using local field potential (LFP) signals re...

Supervised machine learning techniques to predict binding affinity. A study for cyclin-dependent kinase 2.

Biochemical and biophysical research communications
Here we report the development of a machine-learning model to predict binding affinity based on the crystallographic structures of protein-ligand complexes. We used an ensemble of crystallographic structures (resolution better than 1.5 Å resolution) ...
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Improving the Accuracy and Training Speed of Motor Imagery Brain-Computer Interfaces Using Wavelet-Based Combined Feature Vectors and Gaussian Mixture Model-Supervectors.

Sensors (Basel, Switzerland)
In this paper, we propose a set of wavelet-based combined feature vectors and a Gaussian mixture model (GMM)-supervector to enhance training speed and classification accuracy in motor imagery brain-computer interfaces. The proposed method is configur...

Learning ensemble classifiers for diabetic retinopathy assessment.

Artificial intelligence in medicine
Diabetic retinopathy is one of the most common comorbidities of diabetes. Unfortunately, the recommended annual screening of the eye fundus of diabetic patients is too resource-consuming. Therefore, it is necessary to develop tools that may help doct...