AIMC Topic: Deep Learning

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K: Protein-Ligand Absolute Binding Affinity Prediction via 3D-Convolutional Neural Networks.

Journal of chemical information and modeling Jan 29, 2018
Accurately predicting protein-ligand binding affinities is an important problem in computational chemistry since it can substantially accelerate drug discovery for virtual screening and lead optimization. We propose here a fast machine-learning appro...
Proteins Databases, Protein Structure-Activity Relationship Models, Chemical Deep Learning Drug Discovery Protein Binding Ligands Computational Biology
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Inner and Outer Recursive Neural Networks for Chemoinformatics Applications.

Journal of chemical information and modeling Jan 26, 2018
Deep learning methods applied to problems in chemoinformatics often require the use of recursive neural networks to handle data with graphical structure and variable size. We present a useful classification of recursive neural network approaches into...
Bayes Theorem Databases, Chemical Small Molecule Libraries Software Algorithms Deep Learning
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ν-net: Deep Learning for Generalized Biventricular Mass and Function Parameters Using Multicenter Cardiac MRI Data.

JACC. Cardiovascular imaging Jan 17, 2018
Magnetic Resonance Imaging Predictive Value of Tests Heart Diseases Image Interpretation, Computer-Assisted Automation Ventricular Function, Right Humans Ventricular Function, Left Deep Learning
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Machine learning algorithms based on signals from a single wearable inertial sensor can detect surface- and age-related differences in walking.

Journal of biomechanics Jan 12, 2018
The aim of this study was to investigate if a machine learning algorithm utilizing triaxial accelerometer, gyroscope, and magnetometer data from an inertial motion unit (IMU) could detect surface- and age-related differences in walking. Seventeen old...
Fitness Trackers Humans Aging Machine Learning Deep Learning Algorithms Young Adult Wearable Electronic Devices Age Factors Female Adult Walking Aged Male Models, Biological Motion
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Sigmoid-weighted linear units for neural network function approximation in reinforcement learning.

Neural networks : the official journal of the International Neural Network Society Jan 11, 2018
In recent years, neural networks have enjoyed a renaissance as function approximators in reinforcement learning. Two decades after Tesauro's TD-Gammon achieved near top-level human performance in backgammon, the deep reinforcement learning algorithm ...
Neural Networks, Computer Deep Learning
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EAC-Net: Deep Nets with Enhancing and Cropping for Facial Action Unit Detection.

IEEE transactions on pattern analysis and machine intelligence Jan 10, 2018
In this paper, we propose a deep learning based approach for facial action unit (AU) detection by enhancing and cropping regions of interest of face images. The approach is implemented by adding two novel nets (a.k.a. layers): the enhancing layers an...
Male Deep Learning Image Processing, Computer-Assisted Humans Databases, Factual Neural Networks, Computer Female Biometric Identification Young Adult Face Facial Expression Image Enhancement
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De Novo Design of Bioactive Small Molecules by Artificial Intelligence.

Molecular informatics Jan 10, 2018
Generative artificial intelligence offers a fresh view on molecular design. We present the first-time prospective application of a deep learning model for designing new druglike compounds with desired activities. For this purpose, we trained a recurr...
Deep Learning HEK293 Cells Quantitative Structure-Activity Relationship Peroxisome Proliferator-Activated Receptors Humans Molecular Docking Simulation Drug Design Small Molecule Libraries Retinoid X Receptors
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Computer-aided assessment of breast density: comparison of supervised deep learning and feature-based statistical learning.

Physics in medicine and biology Jan 9, 2018
Breast density is one of the most significant factors that is associated with cancer risk. In this study, our purpose was to develop a supervised deep learning approach for automated estimation of percentage density (PD) on digital mammograms (DMs). ...
Aged, 80 and over Adult Breast Neoplasms Retrospective Studies Female Aged Mammography Radiographic Image Interpretation, Computer-Assisted Breast Breast Density Middle Aged Humans Deep Learning Models, Statistical
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Automated Whole-Body Bone Lesion Detection for Multiple Myeloma on Ga-Pentixafor PET/CT Imaging Using Deep Learning Methods.

Contrast media & molecular imaging Jan 8, 2018
The identification of bone lesions is crucial in the diagnostic assessment of multiple myeloma (MM). Ga-Pentixafor PET/CT can capture the abnormal molecular expression of CXCR-4 in addition to anatomical changes. However, whole-body detection of doze...
Coordination Complexes Gallium Radioisotopes Phantoms, Imaging Humans Whole Body Imaging Neural Networks, Computer Positron Emission Tomography Computed Tomography Multiple Myeloma Deep Learning Peptides, Cyclic Bone Neoplasms Receptors, CXCR4
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Potent pairing: ensemble of long short-term memory networks and support vector machine for chemical-protein relation extraction.

Database : the journal of biological databases and curation Jan 1, 2018
Biomedical researchers regularly discover new interactions between chemical compounds/drugs and genes/proteins, and report them in research literature. Having knowledge about these interactions is crucially important in many research areas such as pr...
Databases, Protein Pharmaceutical Preparations Data Mining Neural Networks, Computer Protein Binding Databases, Chemical Drug Discovery Support Vector Machine Deep Learning Proteins
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