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36 results for “Structural classification”
IIb-RAD-seq coupled with random forest classification indicates regional population structuring and sex-specific differentiation in salmon lice (Lepeophtheirus salmonis)
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Classification of Binding Modes for Kinase-Inhibitor Complex Structures, 3D Activity Cliffs Formed by Kinase Inhibitors, and Structural Analogues of 3D-Cliff Compounds
<p>The classification of crystallographic binding modes is provided for 884 kinase-inhibitor complex structures that were assembled from PDB. In addition, a total of 105 three-dimensional activity cliffs formed by 3D kinase inhibitors are listed. Their corresponding potency information is also given. Furthermore, the 2D structural analogues of 3D cliff-forming inhibitors were identified from ChEMBL database, on the basis of matched molecular pairs. These analogs and their activity information are also provided.</p>
FIGURES 1–7. 1 in Ardistomis quixotei (Coleoptera: Carabidae: Clivinini), a new species from Cuba and Mexico: structural and habitat features of adults, larvae and pupae, comparisons with previously described species, and notes about classification and biogeography
FIGURES 1–7. 1—Habitus (dorsal view). 2—Left and right mandibles (a) dorsal view, (b) ventral view. Art, anterior retinacular tooth; m, molar tooth; mt, microtrichia; pm, premolar tooth; tt, terebral tooth; vg, ventral groove. 3—Right maxilla (a) dorsal view, (b) ventral view. G, galeomeres; mp, palpomeres; lac, lacinia. 4—Mentum and submentum (dorsal view). Mll, mental lateral lobes; mt, mental tooth; lp, palpomeres. 5—Ligula (ventral view). 6—Male genitalia (a) left lateral view, (b) ventral view, (c) right lateral view. Ap, apical portion; ba, basal apophysis; bb, basal bulb; bo, basal opening; bp, basal projection; mr, median ridge; o, ostium; p, parameres. 7—Female genitalia (dorsal view). Gc, gonocoxae; lt, laterotergites; sg, spermathecal gland; sp, spermatheca.
FIGURES 8–13. 8 in Ardistomis quixotei (Coleoptera: Carabidae: Clivinini), a new species from Cuba and Mexico: structural and habitat features of adults, larvae and pupae, comparisons with previously described species, and notes about classification and biogeography
FIGURES 8–13. 8—Head capsule, left mandible and right antenna (dorsal view). 9—Anterior margin of frontale (dorsal view). 10—Right maxilla (dorsal view). 11—Prementum (dorsal view). 12–Urogomphi (dorsal view). 13—Urogomphi and pygopod (lateral view).
Figs. 1–8. Body structures. 1 in Classification, Natural History, and Evolution of the Korynetinae (Coleoptera: Cleridae). Part III. The African GeneraEctospinulaOpitz, New Genus, andProsymnusLaporte
Figs. 1–8. Body structures. 1) Ectospinula graduata, metathoracic wing. Antennae: 2) Necrobia rufipes; 3) E. graduata; 4) Prosymnus rudis. Terminal labial palpomere: 5) E. graduata; 6) P. rudis. Abdominal sternites: 7) P. rudis; 8) Prosymnus mulleri.
A classification framework for Bacillus anthracis defined by global genomic structure
<p><i>Bacillus anthracis</i>, the causative agent of anthrax, is a considerable global health threat affecting wildlife, livestock, and the general public. In this study whole-genome sequence analysis of over 350 <i>B. anthracis</i> isolates was used to establish a new high-resolution global genotyping framework that is both biogeographically informative, and compatible with multiple genomic assays. The data presented in this study shed new light on the diverse global dissemination of this species and indicate that many lineages may be uniquely suited to the geographic regions in which they are found. In addition, we demonstrate that plasmid genomic structure for this species is largely consistent with chromosomal population structure, suggesting vertical inheritance in this bacterium has contributed to its evolutionary persistence. This classification methodology is the first based on population genomic structure for this species and has potential use for local and broader institutions seeking to understand both disease outbreak origins and recent introductions. In addition, we provide access to a newly developed genotyping script as well as the full whole genome sequence analyses output for this study, allowing future studies to rapidly employ and append their data in the context of this global collection. This framework may act as a powerful tool for public health agencies, wildlife disease laboratories, and researchers seeking to utilize and expand this classification scheme for further investigations into <i>B. anthracis</i> evolution.</p>
A classification framework for Bacillus anthracis defined by global genomic structure
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PYTHIA6 Dataset: Machine learning-based jet and event classification at the Electron-Ion Collider with applications to hadron structure and spin physics
<p>Dataset corresponding to: https://inspirehep.net/literature/2164495</p> <p>The data set contains PYTHIA6 jets in ep collisions, with separate files for LO DIS and photoproduction samples. For further details about the data set, see https://inspirehep.net/literature/2164495. Examples of how to analyze the data set can be found at: https://github.com/jdmulligan/ml-eic-flavor.</p> <p>Please contact james.mulligan@berkeley.edu with any questions.</p>
Molecular Property Diagnostic Suite Compound Library (MPDS-CL): A Structure based Classification of the Chemical Space
<p>Molecular Property Diagnostic Suite-Compound Library (MPDS-CL), is an open-source galaxy-based cheminformatics web-portal which presents a structure-based classification of the molecules. A structure-based classification of nearly 150 million unique compounds, which are obtained from 42 publicly available databases were curated for redundancy removal through 97 hierarchically well-defined atom composition-based portions. These are further subjected to 56-bit fingerprint-based classification algorithm which led to a formation of 56 structurally well-defined classes. The classes thus obtained were further divided into clusters based on their molecular weight. Thus, the entire set of molecules was put in 56 different classes and 625 clusters. This led to the assignment of a unique ID, named as <em>MPDS AadharID</em>, for each of these 149 169 443 molecules. <em>MPDS AadharID</em> is akin to the unique number given to citizens in India (similar to the SSN in US, NINO in UK). MPDS-CL unique features are: a) several search options, such as exact structure search, substructure search, property-based search, fingerprint-based search, using SMILES, InChIKey and key-in; b) automatic generation of information for the processing for MPDS and other galaxy tools; c) providing the class and cluster of a molecule which makes it easier and fast to search for similar molecules and d) information related to the presence of the molecules in multiple databases. The MPDS-CL can be accessed at http://mpds.neist.res.in:8086/.</p>
Data from: Integration of homogeneous structural region identification and rock mass quality classification
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Visibility - Classification of Sono-visibility of Anatomical Structures in Peripheral Nerve Blocks
ClinicalTrials.gov study NCT03231696. IPD Sharing: NO. Countries: 1. Publications: 0.
Genomic structure, evolution and molecular classification of acute myeloid leukemia
GEO Series GSE70124. Homo sapiens. 46 samples. Type: Expression profiling by array.
STRUCTURAL CLASSIFICATION OF UZBEK NATIONAL INSTRUMENTS
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NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products
<p>Dataset for NPClassifier project</p>
Structure classification of glass-forming liquids by graph neural networks: Explaining predictions with the Self-Attention mechanism
<p>This repository includes the dataset and Python scripts used in the article, "Structure classification of glass-forming liquids by graph neural networks: Explaining predictions with the Self-Attention mechanism". The repository also includes source data of figures in the article.</p>
Data from: Structural classification and scaffold diversity of sesquiterpene lactones in the angiosperms
<p>Sesquiterpene lactones (STLs) present one of the largest groups of plant specialized metabolites with a wide range of biological activities. They are a valuable source for new plant derived drugs and drug leads since they contain several important chemical properties responsible for their versatile therapeutic potential.<br> The aim of this study was to analyze and compare the chemical diversity of all types of STLs in different plant groups, both qualitatively and quantitatively. For this purpose, over 5,200 STLs have been compiled and their plant origin has been recorded, resulting in a comprehensive dataset comprising over 8,600 entries. An overview of skeleton classes and their distribution among plant families was given by assigning the STLs to their major classes. An extensive scaffold diversity analysis was performed based on the molecular framework of these compounds using established metrics. Furthermore, molecular diversity and similarity was assessed via 2D fingerprint and clustering analysis.<br> The results highlighted significant differences in the degree of chemical diversity. It was demonstrated that the investigated plant families have tendencies to produce certain types of skeletons. The quantity and distribution of skeleton classes was determined per plant family and genus, as well as the proportions of skeleton classes to other STL producing families. Analyzing the scaffold diversity showed that they possessed specific sets of molecular frameworks with a considerable variation in their frequency of occurrence. Even if many plant families produce STLs belonging to the same skeleton class, their corresponding molecular frameworks differ. Clustering analysis confirmed the known large structural diversity and revealed similarities and differences of the compounds. The metrics employed enabled to qualitatively divide STLs into smaller groups with similar structural features, which reflected biologically and chemically different STLs and pointed out the differentiation of various plant groups, up to the taxonomic rank of the species.<br> Taken together, these analyses provided a comprehensive insight into scaffold and molecular diversity of STLs. Due to the detailed taxonomic annotation, the distinct distribution of different types of STLs was captured. This dataset represents the latest detailed compilation of STLs in the angiosperms, which can be used as a basis for further chemoinformatic or chemosystematic analyses. To provide an example of potential implementations, the results were utilized in a phylogenetic exploration of these metabolites.</p>
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Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.