AIMC Topic: Computer Simulation

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Evaluation of an Artificial Neural Network Retention Index Model for Chemical Structure Identification in Nontargeted Metabolomics.

Analytical chemistry
Liquid chromatography coupled with electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) is a major analytical technique used for nontargeted identification of metabolites in biological fluids. Typically, in LC-ESI-MS/MS based database assi...

Roles for globus pallidus externa revealed in a computational model of action selection in the basal ganglia.

Neural networks : the official journal of the International Neural Network Society
The basal ganglia are considered vital to action selection - a hypothesis supported by several biologically plausible computational models. Of the several subnuclei of the basal ganglia, the globus pallidus externa (GPe) has been thought of largely a...

Learning SPECT detector angular response function with neural network for accelerating Monte-Carlo simulations.

Physics in medicine and biology
A method to speed up [Formula: see text] simulations of single photon emission computed tomography (SPECT) imaging is proposed. It uses an artificial neural network (ANN) to learn the angular response function (ARF) of a collimator-detector system. T...

QFlow lite dataset: A machine-learning approach to the charge states in quantum dot experiments.

PloS one
BACKGROUND: Over the past decade, machine learning techniques have revolutionized how research and science are done, from designing new materials and predicting their properties to data mining and analysis to assisting drug discovery to advancing cyb...

A Hybrid Model for Forecasting Sunspots Time Series Based on Variational Mode Decomposition and Backpropagation Neural Network Improved by Firefly Algorithm.

Computational intelligence and neuroscience
The change of the number of sunspots has a great impact on the Earth's climate, agriculture, communications, natural disasters, and other aspects, so it is very important to predict the number of sunspots. Aiming at the chaotic characteristics of mon...

Accurate prediction of protein-lncRNA interactions by diffusion and HeteSim features across heterogeneous network.

BMC bioinformatics
BACKGROUND: Identifying the interactions between proteins and long non-coding RNAs (lncRNAs) is of great importance to decipher the functional mechanisms of lncRNAs. However, current experimental techniques for detection of lncRNA-protein interaction...

Reachable set estimation for Markovian jump neural networks with time-varying delay.

Neural networks : the official journal of the International Neural Network Society
This paper is concerned with the reachable set estimation for Markovian jump neural networks with time-varying delay and bounded peak inputs. The objective is to find a description of a reachable set that is containing all reachable states starting f...

Variable importance for sustaining macrophyte presence via random forests: data imputation and model settings.

Scientific reports
Data sets plagued with missing data and performance-affecting model parameters represent recurrent issues within the field of data mining. Via random forests, the influence of data reduction, outlier and correlated variable removal and missing data i...

Prediction of methionine oxidation risk in monoclonal antibodies using a machine learning method.

mAbs
Monoclonal antibodies (mAbs) have become a major class of protein therapeutics that target a spectrum of diseases ranging from cancers to infectious diseases. Similar to any protein molecule, mAbs are susceptible to chemical modifications during the ...

Deep learning-based transcriptome data classification for drug-target interaction prediction.

BMC genomics
BACKGROUND: The ability to predict the interaction of drugs with target proteins is essential to research and development of drug. However, the traditional experimental paradigm is costly, and previous in silico prediction paradigms have been impeded...