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Protein secondary structure detection in intermediate-resolution cryo-EM maps using deep learning.

Nature methods Jul 29, 2019
Although structures determined at near-atomic resolution are now routinely reported by cryo-electron microscopy (cryo-EM), many density maps are determined at an intermediate resolution, and extracting structure information from these maps is still a...
Models, Molecular Protein Structure, Secondary Software Humans Cryoelectron Microscopy Deep Learning Neural Networks, Computer Proteins
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Machine Vision Methods, Natural Language Processing, and Machine Learning Algorithms for Automated Dispersion Plot Analysis and Chemical Identification from Complex Mixtures.

Analytical chemistry Jul 29, 2019
Gas-phase trace chemical detection techniques such as ion mobility spectrometry (IMS) and differential mobility spectrometry (DMS) can be used in many settings, such as evaluating the health condition of patients or detecting explosives at airports. ...
Humans Machine Learning Spectrum Analysis Support Vector Machine Complex Mixtures Butanones Natural Language Processing Software Methyl n-Butyl Ketone Gases Acetates Image Processing, Computer-Assisted
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ROBOT: A Tool for Automating Ontology Workflows.

BMC bioinformatics Jul 29, 2019
BACKGROUND: Ontologies are invaluable in the life sciences, but building and maintaining ontologies often requires a challenging number of distinct tasks such as running automated reasoners and quality control checks, extracting dependencies and appl...
Biological Ontologies Disease Workflow Humans Programming Languages Software
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Predicting ideal outcome after pediatric liver transplantation: An exploratory study using machine learning analyses to leverage Studies of Pediatric Liver Transplantation Data.

Pediatric transplantation Jul 22, 2019
Machine learning analyses allow for the consideration of numerous variables in order to accommodate complex relationships that would not otherwise be apparent in traditional statistical methods to better classify patient risk. The SPLIT registry data...
Anastomosis, Surgical Liver Failure Software Algorithms Prospective Studies Risk Factors Young Adult Adult Humans Machine Learning Treatment Outcome Predictive Value of Tests Biliary Tract Surgical Procedures Registries Liver Transplantation Pediatrics Risk Assessment Infant Adolescent Child, Preschool Child
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A Guide for Using Deep Learning for Complex Trait Genomic Prediction.

Genes Jul 20, 2019
Deep learning (DL) has emerged as a powerful tool to make accurate predictions from complex data such as image, text, or video. However, its ability to predict phenotypic values from molecular data is less well studied. Here, we describe the theoreti...
Multifactorial Inheritance Software Models, Genetic Deep Learning Genetic Code
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Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood-brain Barrier Entry of Chemical Compounds Using Machine Learning.

Molecular informatics Jul 19, 2019
In this paper we used two sets of calculated molecular descriptors to predict blood-brain barrier (BBB) entry of a collection of 415 chemicals. The set of 579 descriptors were calculated by Schrodinger and TopoCluj software. Polly and Triplet softwar...
Models, Molecular Quantitative Structure-Activity Relationship Machine Learning Software Algorithms Blood-Brain Barrier Organic Chemicals
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AULD: Large Scale Suspicious DNS Activities Detection via Unsupervised Learning in Advanced Persistent Threats.

Sensors (Basel, Switzerland) Jul 19, 2019
In recent years, sensors in the Internet of things have been commonly used in Human's life. APT (Advanced Persistent Threats) has caused serious damage to network security and the sensors play an important role in the attack process. For a long time,...
Humans Computer Security Software Algorithms Unsupervised Machine Learning
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An Ensemble Classifier to Predict Protein-Protein Interactions by Combining PSSM-based Evolutionary Information with Local Binary Pattern Model.

International journal of molecular sciences Jul 17, 2019
Protein plays a critical role in the regulation of biological cell functions. Among them, whether proteins interact with each other has become a fundamental problem, because proteins usually perform their functions by interacting with other proteins....
Humans Software Computational Biology Position-Specific Scoring Matrices Support Vector Machine Databases, Protein Protein Interaction Mapping
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The Art of Virtualizing Pharma R&D.

Drug discovery today Jul 16, 2019
Drug Industry Artificial Intelligence Software Drug Discovery
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Natural language processing of Reddit data to evaluate dermatology patient experiences and therapeutics.

Journal of the American Academy of Dermatology Jul 12, 2019
BACKGROUND: There is a lack of research studying patient-generated data on Reddit, one of the world's most popular forums with active users interested in dermatology. Techniques within natural language processing, a field of artificial intelligence, ...
Cluster Analysis Psoriasis Social Media Software Reproducibility of Results Patient Outcome Assessment Acne Vulgaris Sunbathing Natural Language Processing Feasibility Studies Dermatology Humans
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