Journal of computer-aided molecular design
Sep 8, 2016
Rapid overlay of chemical structures (ROCS) is a standard tool for the calculation of 3D shape and chemical ("color") similarity. ROCS uses unweighted sums to combine many aspects of similarity, yielding parameter-free models for virtual screening. I...
Computational intelligence and neuroscience
Sep 8, 2016
This paper presents a novel fault diagnosis method for analog circuits using ensemble empirical mode decomposition (EEMD), relative entropy, and extreme learning machine (ELM). First, nominal and faulty response waveforms of a circuit are measured, r...
Simultaneous and proportional myocontrol of dexterous hand prostheses is to a large extent still an open problem. With the advent of commercially and clinically available multi-fingered hand prostheses there are now more independent degrees of freedo...
Over the past decade we have witnessed the increasing sophistication of machine learning algorithms applied in daily use from internet searches, voice recognition, social network software to machine vision software in cameras, phones, robots and self...
Journal of computer-aided molecular design
Sep 3, 2016
We assess the performance of several machine learning-based scoring methods at protein-ligand pose prediction, virtual screening, and binding affinity prediction. The methods and the manner in which they were trained make them sufficiently diverse to...
Imaging flow cytometry (IFC) enables the high throughput collection of morphological and spatial information from hundreds of thousands of single cells. This high content, information rich image data can in theory resolve important biological differe...
In transfusion medicine, the identification of the Rhesus D type is important to prevent anti-D immunisation in Rhesus D negative recipients. In particular, the detection of the very low expressed DEL phenotype is crucial and hence constitutes the bo...
IEEE/ACM transactions on computational biology and bioinformatics
Aug 31, 2016
Many biomedical classification problems are multi-label by nature, e.g., a gene involved in a variety of functions and a patient with multiple diseases. The majority of existing classification algorithms assumes each sample with only one class label,...
Database : the journal of biological databases and curation
Aug 31, 2016
Automated machine-reading biocuration systems typically use sentence-by-sentence information extraction to construct meaning representations for use by curators. This does not directly reflect the typical discourse structure used by scientists to con...
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