Automatic extraction of protein point mutations using a graph bigram association.
Ontology highlight
ABSTRACT:
SUBMITTER: Lee LC
PROVIDER: S-EPMC1794323 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:Lianas are key structural elements of tropical forests having a large impact on the global carbon cycle by reducing tree growth and increasing tree mortality. Despite the reported increasing abundance of lianas across neotropics, very few studies have attempted to quantify the impact of lianas on tree and forest structure. Recent advances in high resolution terrestrial laser scanning (TLS) systems have enabled us to quantify the forest structure, in an unprecedented detail. However, the uptake of TLS technology to study lianas has not kept up with the same pace as it has for trees. The slower technological adoption of TLS to study lianas is due to the lack of methods to study these complex growth forms. In this study, we present a semi-automatic method to extract liana woody components from plot-level TLS data of a tropical rainforest. We tested the method in eight plots from two different tropical rainforest sites (two in Gigante Peninsula, Panama and six in Nouragues, French Guiana) along an increasing gradient of liana infestation (from plots with low liana density to plots with very high liana density). Our method uses a machine learning model based on the Random Forest (RF) algorithm. The RF algorithm is trained on the eigen features extracted from the points in 3D at multiple spatial scales. The RF based liana stem extraction method successfully extracts on average 58% of liana woody points in our dataset with a high precision of 88%. We also present simple post-processing steps that increase the percentage of extracted liana stems from 54% to 90% in Nouragues and 65% to 70% in Gigante Peninsula without compromising on the precision. We provide the entire processing pipeline as an open source python package. Our method will facilitate new research to study lianas as it enables the monitoring of liana abundance, growth and biomass in forest plots. In addition, the method facilitates the easier processing of 3D data to study tree structure from a liana-infested forest.
| S-EPMC6686632 | biostudies-literature
Project description:Protein-protein interactions (PPIs) play a vital role in cellular functions and are essential for therapeutic development and understanding diseases. However, current predictive tools often struggle to balance efficiency and precision in predicting the effects of mutations on these complex interactions. To address this, we present DDMut-PPI, a deep learning model that efficiently and accurately predicts changes in PPI binding free energy upon single and multiple point mutations. Building on the robust Siamese network architecture with graph-based signatures from our prior work, DDMut, the DDMut-PPI model was enhanced with a graph convolutional network operated on the protein interaction interface. We used residue-specific embeddings from ProtT5 protein language model as node features, and a variety of molecular interactions as edge features. By integrating evolutionary context with spatial information, this framework enables DDMut-PPI to achieve a robust Pearson correlation of up to 0.75 (root mean squared error: 1.33 kcal/mol) in our evaluations, outperforming most existing methods. Importantly, the model demonstrated consistent performance across mutations that increase or decrease binding affinity. DDMut-PPI offers a significant advancement in the field and will serve as a valuable tool for researchers probing the complexities of protein interactions. DDMut-PPI is freely available as a web server and an application programming interface at https://biosig.lab.uq.edu.au/ddmut_ppi.
| S-EPMC11223791 | biostudies-literature
Project description:Background and aimsIn addition to terrestrial laser scanning (TLS), mobile laser scanning (MLS) is increasingly arousing interest as a technique which provides valuable 3-D data for various applications in forest research. Using mobile platforms, the 3-D recording of large forest areas is carried out within a short space of time. Vegetation structure is described by millions of 3-D points which show an accuracy in the millimetre range and offer a powerful basis for automated vegetation modelling. The successful extraction of single trees from the point cloud is essential for further evaluations and modelling at the individual-tree level, such as volume determination, quantitative structure modelling or local neighbourhood analyses. However, high-precision automated tree segmentation is challenging, and has so far mostly been performed using elaborate interactive segmentation methods.MethodsHere, we present a novel segmentation algorithm to automatically segment trees in MLS point clouds, applying distance adaptivity as a function of trajectory. In addition, tree parameters are determined simultaneously. In our validation study, we used a total of 825 trees from ten sample plots to compare the data of trees segmented from MLS data with manual inventory parameters and parameters derived from semi-automatic TLS segmentation.Key resultsThe tree detection rate reached 96 % on average for trees with distances up to 45 m from the trajectory. Trees were almost completely segmented up to a distance of about 30 m from the MLS trajectory. The accuracy of tree parameters was similar for MLS-segmented and TLS-segmented trees.ConclusionsBesides plot characteristics, the detection rate of trees in MLS data strongly depends on the distance to the travelled track. The algorithm presented here facilitates the acquisition of important tree parameters from MLS data, as an area-wide automated derivation can be accomplished in a very short time.
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Project description:Geometric features are an important factor for the classification of drugs and other transport objects in chemical reactors. The moving speed of drugs and other transport objects in chemical reactors is fast, and it is difficult to obtain their features by imaging and other methods. In order to avoid the mistaken and missed distribution of drugs and other objects, a method of extracting geometric features of the drug's point cloud in a chemical reactor based on a dynamic graph convolution neural network (DGCNN) is proposed. In this study, we first use MATLAB R2019a to add a random number of noise points in each point cloud file and label the point cloud. Second, k-nearest neighbor (KNN) is used to construct the adjacency relationship of all nodes, and the effect of DGCNN under different k values and the confusion matrix under the optimal k value are analyzed. Finally, we compare the effect of DGCNN with PointNet and PointNet++. The experimental results show that when k is 20, the accuracy, precision, recall, and F1 score of DGCNN are higher than those of other k values, while the training time is much shorter than that of k = 25, 30, and 35; in addition, the effect of DGCNN in extracting geometric features of the point cloud is better than that of PointNet and PointNet++. The results show that it is feasible to use DGCNN to analyze the geometric characteristics of drug point clouds in a chemical reactor. This study fills the gap of the end-to-end extraction method for a point cloud's corresponding geometric features without a data set. In addition, this study promotes the institutionalization, standardization, and intelligent design of safe production and management of drugs and other objects in the chemical reactor, and it has positive significance for the production cost and resource utilization of the whole pharmaceutical process. At the same time, it provides a new method for the intelligent processing of point cloud data.
| S-EPMC8388001 | biostudies-literature
Project description:BackgroundNew terminology continuously enters the biomedical literature. How can curators identify new terms that can be added to existing nomenclatures? The most direct method, and one that has served well, involves reading the current literature. The scholarly curator adds new terms as they are encountered. Present-day scholars are severely challenged by the enormous volume of biomedical literature. Curators of medical nomenclatures need computational assistance if they hope to keep their terminologies current. The purpose of this paper is to describe a method of rapidly extracting new, candidate terms from huge volumes of biomedical text. The resulting lists of terms can be quickly reviewed by curators and added to nomenclatures, if appropriate. The candidate term extractor uses a variation of the previously described doublet coding method. The algorithm, which operates on virtually any nomenclature, derives from the observation that most terms within a knowledge domain are composed entirely of word combinations found in other terms from the same knowledge domain. Terms can be expressed as sequences of overlapping word doublets that have more specific meaning than the individual words that compose the term. The algorithm parses through text, finding contiguous sequences of word doublets that are known to occur somewhere in the reference nomenclature. When a sequence of matching word doublets is encountered, it is compared with whole terms already included in the nomenclature. If the doublet sequence is not already in the nomenclature, it is extracted as a candidate new term. Candidate new terms can be reviewed by a curator to determine if they should be added to the nomenclature. An implementation of the algorithm is demonstrated, using a corpus of published abstracts obtained through the National Library of Medicine's PubMed query service and using "The developmental lineage classification and taxonomy of neoplasms" as a reference nomenclature.ResultsA 31+ Megabyte corpus of pathology journal abstracts was parsed using the doublet extraction method. This corpus consisted of 4,289 records, each containing an abstract title. The total number of words included in the abstract titles was 50,547. New candidate terms for the nomenclature were automatically extracted from the titles of abstracts in the corpus. Total execution time on a desktop computer with CPU speed of 2.79 GHz was 2 seconds. The resulting output consisted of 313 new candidate terms, each consisting of concatenated doublets found in the reference nomenclature. Human review of the 313 candidate terms yielded a list of 285 terms approved by a curator. A final automatic extraction of duplicate terms yielded a final list of 222 new terms (71% of the original 313 extracted candidate terms) that could be added to the reference nomenclature.ConclusionThe doublet method for automatically extracting candidate nomenclature terms can be used to quickly find new terms from vast amounts of text. The method can be immediately adapted for virtually any text and any nomenclature. An implementation of the algorithm, in the Perl programming language, is provided with this article.
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Project description:A wealth of knowledge concerning relations between genes and its associated diseases is present in biomedical literature. Mining these biological associations from literature can provide immense support to research ranging from drug-targetable pathways to biomarker discovery. However, time and cost of manual curation heavily slows it down. In this current scenario one of the crucial technologies is biomedical text mining, and relation extraction shows the promising result to explore the research of genes associated with diseases. By developing automatic extraction of gene-disease associations from the literature using joint ensemble learning we addressed this problem from a text mining perspective. In the proposed work, we employ a supervised machine learning approach in which a rich feature set covering conceptual, syntax and semantic properties jointly learned with word embedding are trained using ensemble support vector machine for extracting gene-disease relations from four gold standard corpora. Upon evaluating the machine learning approach shows promised results of 85.34%, 83.93%,87.39% and 85.57% of F-measure on EUADR, GAD, CoMAGC and PolySearch corpora respectively. We strongly believe that the presented novel approach combining rich syntax and semantic feature set with domain-specific word embedding through ensemble support vector machines evaluated on four gold standard corpora can act as a new baseline for future works in gene-disease relation extraction from literature.
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Project description:The accurate prediction of the impact of an amino acid substitution on the thermal stability of a protein is a central issue in protein science, and is of key relevance for the rational optimization of various bioprocesses that use enzymes in unusual conditions. Here we present one of the first computational tools to predict the change in melting temperature ΔTm upon point mutations, given the protein structure and, when available, the melting temperature Tm of the wild-type protein. The key ingredients of our model structure are standard and temperature-dependent statistical potentials, which are combined with the help of an artificial neural network. The model structure was chosen on the basis of a detailed thermodynamic analysis of the system. The parameters of the model were identified on a set of more than 1,600 mutations with experimentally measured ΔTm. The performance of our method was tested using a strict 5-fold cross-validation procedure, and was found to be significantly superior to that of competing methods. We obtained a root mean square deviation between predicted and experimental ΔTm values of 4.2 °C that reduces to 2.9 °C when ten percent outliers are removed. A webserver-based tool is freely available for non-commercial use at soft.dezyme.com.
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Project description:This paper aims to assess the use of Inertial Measurement Unit (IMU) sensors to identify gait asymmetry by extracting automatic gait features. We design and develop an android app to collect real time synchronous IMU data from legs. The results from our method are validated using a Qualisys Motion Capture System. The data are collected from 10 young and 10 older subjects. Each performed a trial in a straight corridor comprising 15 strides of normal walking, a turn around and another 15 strides. We analyse the data for total distance, total time, total velocity, stride, step, cadence, step ratio, stance, and swing. The accuracy of detecting the stride number using the proposed method is 100% for young and 92.67% for older subjects. The accuracy of estimating travelled distance using the proposed method for young subjects is 97.73% and 98.82% for right and left legs; and for the older, is 88.71% and 89.88% for right and left legs. The average travelled distance is 37.77 (95% CI ± 3.57) meters for young subjects and is 22.50 (95% CI ± 2.34) meters for older subjects. The average travelled time for young subjects is 51.85 (95% CI ± 3.08) seconds and for older subjects is 84.02 (95% CI ± 9.98) seconds. The results show that wearable sensors can be used for identifying gait asymmetry without the requirement and expense of an elaborate laboratory setup. This can serve as a tool in diagnosing gait abnormalities in individuals and opens the possibilities for home based self-gait asymmetry assessment.
| S-EPMC5855014 | biostudies-literature
Project description:This paper studies the feasibility of developing an automatic anatomy segmentation (AAS) system in clinical radiology and demonstrates its operation on clinical 3D images.The AAS system, the authors are developing consists of two main parts: object recognition and object delineation. As for recognition, a hierarchical 3D scale-based multiobject method is used for the multiobject recognition task, which incorporates intensity weighted ball-scale (b-scale) information into the active shape model (ASM). For object delineation, an iterative graph-cut-ASM (IGCASM) algorithm is proposed, which effectively combines the rich statistical shape information embodied in ASM with the globally optimal delineation capability of the GC method. The presented IGCASM algorithm is a 3D generalization of the 2D GC-ASM method that they proposed previously in Chen et al. [Proc. SPIE, 7259, 72590C1-72590C-8 (2009)]. The proposed methods are tested on two datasets comprised of images obtained from 20 patients (10 male and 10 female) of clinical abdominal CT scans, and 11 foot magnetic resonance imaging (MRI) scans. The test is for four organs (liver, left and right kidneys, and spleen) segmentation, five foot bones (calcaneus, tibia, cuboid, talus, and navicular). The recognition and delineation accuracies were evaluated separately. The recognition accuracy was evaluated in terms of translation, rotation, and scale (size) error. The delineation accuracy was evaluated in terms of true and false positive volume fractions (TPVF, FPVF). The efficiency of the delineation method was also evaluated on an Intel Pentium IV PC with a 3.4 GHZ CPU machine.The recognition accuracies in terms of translation, rotation, and scale error over all organs are about 8 mm, 10 degrees and 0.03, and over all foot bones are about 3.5709 mm, 0.35 degrees and 0.025, respectively. The accuracy of delineation over all organs for all subjects as expressed in TPVF and FPVF is 93.01% and 0.22%, and all foot bones for all subjects are 93.75% and 0.28%, respectively. While the delineations for the four organs can be accomplished quite rapidly with average of 78 s, the delineations for the five foot bones can be accomplished with average of 70 s.The experimental results showed the feasibility and efficacy of the proposed automatic anatomy segmentation system: (a) the incorporation of shape priors into the GC framework is feasible in 3D as demonstrated previously for 2D images; (b) our results in 3D confirm the accuracy behavior observed in 2D. The hybrid strategy IGCASM seems to be more robust and accurate than ASM and GC individually; and (c) delineations within body regions and foot bones of clinical importance can be accomplished quite rapidly within 1.5 min.
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