Search results for "Machine learning"
showing 10 items of 1464 documents
Assessing model accuracy using the homology modeling automatically software
2007
Homology modeling is a powerful technique that greatly increases the value of experimental structure determination by using the structural information of one protein to predict the structures of homologous proteins. We have previously described a method of homology modeling by satisfaction of spatial restraints (Li et al., Protein Sci 1997;6:956-970). The Homology Modeling Automatically (HOMA) web site,http://www-nmr.cabm.rutgers.edu/HOMA, is a new tool, using this method to predict 3D structure of a target protein based on the sequence alignment of the target protein to a template protein and the structure coordinates of the template. The user is presented with the resulting models, togeth…
Computational Methods in Developing Quantitative Structure-Activity Relationships (QSAR): A Review
2006
Virtual filtering and screening of combinatorial libraries have recently gained attention as methods complementing the high-throughput screening and combinatorial chemistry. These chemoinformatic techniques rely heavily on quantitative structure-activity relationship (QSAR) analysis, a field with established methodology and successful history. In this review, we discuss the computational methods for building QSAR models. We start with outlining their usefulness in high-throughput screening and identifying the general scheme of a QSAR model. Following, we focus on the methodologies in constructing three main components of QSAR model, namely the methods for describing the molecular structure …
A Probabilistic Analysis About the Concepts of Difficulty and Usefulness of a Molecular Ranking Classification
2013
Discerning between the concepts of difficulty and usefulness of a molecular ranking classification is of significant importance in virtual design chemistry. Here, both concepts are viewed from the statistical and practical point of view according to the standard definitions of enrichment and statistical significance p-values. These parameters are useful not only to compare distinct rankings obtained for the same molecular database, but also in order to compare the ones established in distinct molecular sets from an objective point of view.
How Correlated Are Community-Aware and Classical Centrality Measures in Complex Networks?
2021
Unlike classical centrality measures, recently developed community-aware centrality measures use a network’s community structure to identify influential nodes in complex networks. This paper investigates their relationship on a set of fifty real-world networks originating from various domains. Results show that classical and community-aware centrality measures generally exhibit low to medium correlation values. These results are consistent across networks. Transitivity and efficiency are the most influential macroscopic network features driving the correlation variation between classical and community-aware centrality measures. Additionally, the mixing parameter, the modularity, and the Max…
Automatic Assessment of Depression Based on Visual Cues: A Systematic Review
2019
International audience; Automatic depression assessment based on visual cues is a rapidly growing research domain. The present exhaustive review of existing approaches as reported in over sixty publications during the last ten years focuses on image processing and machine learning algorithms. Visual manifestations of depression, various procedures used for data collection, and existing datasets are summarized. The review outlines methods and algorithms for visual feature extraction, dimensionality reduction, decision methods for classification and regression approaches, as well as different fusion strategies. A quantitative meta-analysis of reported results, relying on performance metrics r…
Using deep neural networks for kinematic analysis: Challenges and opportunities
2020
Kinematic analysis is often performed in a lab using optical cameras combined with reflective markers.\ud With the advent of artificial intelligence techniques such as deep neural networks, it is now possible\ud to perform such analyses without markers, making outdoor applications feasible. In this paper I summarise\ud 2D markerless approaches for estimating joint angles, highlighting their strengths and limitations.\ud In computer science, so-called ‘‘pose estimation” algorithms have existed for many years. These methods\ud involve training a neural network to detect features (e.g. anatomical landmarks) using a process called\ud supervised learning, which requires ‘‘training” images to be …
Revealing the unique features of each individual's muscle activation signatures
2021
International audience; There is growing evidence that each individual has unique movement patterns, or signatures. The exact origin of these movement signatures, however, remains unknown. We developed an approach that can identify individual muscle activation signatures during two locomotor tasks (walking and pedalling). A linear support vector machine was used to classify 78 participants based on their electromyographic (EMG) patterns measured on eight lower limb muscles. To provide insight into decision-making by the machine learning classification model, a layer-wise relevance propagation (LRP) approach was implemented. This enabled the model predictions to be decomposed into relevance …
A comprehensive survey of multi-view video summarization
2021
[EN] There has been an exponential growth in the amount of visual data on a daily basis acquired from single or multi-view surveillance camera networks. This massive amount of data requires efficient mechanisms such as video summarization to ensure that only significant data are reported and the redundancy is reduced. Multi-view video summarization (MVS) is a less redundant and more concise way of providing information from the video content of all the cameras in the form of either keyframes or video segments. This paper presents an overview of the existing strategies proposed for MVS, including their advantages and drawbacks. Our survey covers the genericsteps in MVS, such as the pre-proce…
Multiproject–multicenter evaluation of automatic brain tumor classification by magnetic resonance spectroscopy
2008
[EN] Automatic brain tumor classification by MRS has been under development for more than a decade. Nonetheless, to our knowledge, there are no published evaluations of predictive models with unseen cases that are subsequently acquired in different centers. The multicenter eTUMOUR project (2004-2009), which builds upon previous expertise from the INTERPRET project (2000-2002) has allowed such an evaluation to take place. A total of 253 pairwise classifiers for glioblastoma, meningioma, metastasis, and low-grade glial diagnosis were inferred based on 211 SV short TE INTERPRET MR spectra obtained at 1.5 T (PRESS or STEAM, 20-32 ms) and automatically pre-processed. Afterwards, the classifiers …
Standardizing the analysis of conditioned fear in rodents: a multidimensional software approach
2013
Data comparability between different laboratories strongly depends on the individually applied analysis method. This factor is often a critical source of variation in rodent phenotyping and has never been systematically investigated in Pavlovian fear conditioning paradigms. In rodents, fear is typically quantified in terms of freezing duration via manual observation or automated systems. While manual analysis includes biases such as tiredness or inter-personal scoring variability, computer-assisted systems are unable to distinguish between freezing and immobility. Consequently, the novel software called MOVE follows a semi-automatized approach that prefilters video sequences of interest for…