AIMC Topic: Computer Simulation

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Generating and screening de novo compounds against given targets using ultrafast deep learning models as core components.

Briefings in bioinformatics
Deep learning is an artificial intelligence technique in which models express geometric transformations over multiple levels. This method has shown great promise in various fields, including drug development. The availability of public structure data...

Effective drug-target interaction prediction with mutual interaction neural network.

Bioinformatics (Oxford, England)
MOTIVATION: Accurately predicting drug-target interaction (DTI) is a crucial step to drug discovery. Recently, deep learning techniques have been widely used for DTI prediction and achieved significant performance improvement. One challenge in buildi...

T-S fuzzy observer-based adaptive tracking control for biological system with stage structure.

Mathematical biosciences and engineering : MBE
In this paper, the T-S fuzzy observer-based adaptive tracking control of the biological system with stage structure is studied. First, a biological model with stage structure is established, and its stability at the equilibrium points is analyzed. Co...

Generative Moment Matching Networks for Genotype Simulation.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
The generation of synthetic genomic sequences using neural networks has potential to ameliorate privacy and data sharing concerns and to mitigate potential bias within datasets due to under-representation of some population groups. However, there is ...

Real-Time Generation of Hyperbolic Neuronal Spiking Patterns.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Neuronal spikes are referred to as the electric activity of neurons (in terms of voltage) in response to various biological events such as the sodium and calcium ionic current channels in the brain. Currently, both biological models as well as mathem...

Feasibility of a Deep Learning approach to estimate Shear Wave Speed using the framework of Reverberant Shear Wave Elastography: A numerical simulation study.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Reverberant Shear Wave Elastography (RSWE) is an ultrasound elastography technique that offers great advantages, however, current estimators generate underestimations and time-consuming issues. As well, the involvement of Deep Learning into the medic...

Comparing Prediction of Early TBI Mortality with Multilayer Perceptron Neural Network and Convolutional Neural Network.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
In this work, we compare the performance of a multilayer perceptron neural network and convolutional networks for the prediction of 14-day mortality in patients with TBI, using a database obtained in a low-and middle-income country, with 529 records ...

Mitigating the ambiguity problem in the CNN-based wavefront correction.

Optics letters
In this work, we propose an attention-based adaptive optics method that uses a non-local block to integrate phase diversity with a convolutional neural network (CNN). The simulation results showcase the effectiveness of the proposed method to mitigat...

BITES: balanced individual treatment effect for survival data.

Bioinformatics (Oxford, England)
MOTIVATION: Estimating the effects of interventions on patient outcome is one of the key aspects of personalized medicine. Their inference is often challenged by the fact that the training data comprises only the outcome for the administered treatmen...

InterPepScore: a deep learning score for improving the FlexPepDock refinement protocol.

Bioinformatics (Oxford, England)
MOTIVATION: Interactions between peptide fragments and protein receptors are vital to cell function yet difficult to experimentally determine in structural details of. As such, many computational methods have been developed to aid in peptide-protein ...