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1,923 results for “compounds”
Magnetocaloric effect in spin-glass-like GdCu4Mn compound
<p>Dataset for: Magnetocaloric effect in spin-glass-like GdCu<sub>4</sub>Mn compound</p> <p>Materials based on Gd with magnetic frustration may have high magnetocaloric application potential. GdCu<sub>4</sub>Mn crystallizes in hexagonal CaCu<sub>5</sub>-type structure with space group <em>P</em>6/<em>mmm</em> (no. 191, Pearson symbol: <em>hP</em>6). Lattice parameters for the polycrystalline sample are equal to <em>a</em> = 5.114(3) Å and <em>c</em> = 4.151(4) Å. Due to structural disorder, namely random distribution of Cu and Mn atoms on 2<em>c</em> and 3<em>g</em> positions, a spin-glass-like behavior is observed in this material at low temperatures. In addition to the standard measurements of DC magnetization and AC magnetic susceptibility, the spin-glass state was confirmed by the memory effect and relaxation behavior. The absence of clear anomalies in the temperature dependencies of specific heat and electrical resistance suggests the lack of long-range magnetic order.</p>
Long-term variations of ambient volatile organic compounds (VOCs) from 2016 to 2020 in Beijing, China
<p>Ambient volatile organic compounds (VOCs) are crucial precursors for the formation of secondary organic aerosol (SOA) and ozone (O<sub>3</sub>). We have conducted in-situ observations and compiled a comprehensive dataset of ambient volatile organic compound (VOC) compositions and concentrations in Beijing, China, spanning the period from 2016 to 2020. The dataset covers a wide range of VOC species including 29 alkanes, 11 alkenes, 1 alkyne, 16 aromatics, 28 halohydrocarbons, 13 oxygenated VOCs (OVOCs), and 1 nitrogenous VOC (acetonitrile). The presentation and analysis of this dataset is available in a paper submitted to Earth System Science Data (Simon et al, in prep). The findings and analysis of this dataset have been documented in a paper that has been submitted to Earth System Science Data (Liu et al., in prep).</p> <p>If you use the dataset for related scientific research, please cite the corresponding reference:</p> <p> Liu et al (in prep); Long-term variations of ambient volatile organic compounds (VOCs) from 2016 to 2020 in Beijing, China; Earth System Science Data.</p>
Identifying persistent, mobile and toxic (PMT) organic compounds detected in shale gas wastewater.
<p>Supporting Information (open data) for Identifying persistent, mobile and toxic (PMT) organic compounds detected in shale gas wastewater.</p>
Metabolomics dataset relating to the pubblication: "Combining CRISPRi and metabolomics for functional annotation of compound libraries"
<p>Metabolomics dataset relating to the pubblication: "Combining CRISPRi and metabolomics for functional annotation of compound libraries"</p>
An Interpretable Framework to Characterize Compound Treatments on Filamentous Fungi using Cell Painting and Deep Metric Learning
<p>This deposit contains:</p> <ul> <li>{train,test,val}.csv: Meta-data files</li> <li>images.tar.gz: Archive of images</li> <li>checkpoint.pth.tar: Model weights</li> <li>code.tar.gz: Code necessary to reproduce our experiments.</li> </ul>
Figures of IC50 of each compound by graph pad prisim
<p>This includes IC50 data results for each compound by using graph pad prisim as a pzfx format and JPG format</p>
Supporting Information: Exploring Novel Antimalarial Compounds Targeting Plasmodium falciparum Enoyl-ACP Reductase: Computational and Experimental Insights
<ul> <li>Library 1 with molecules already tested in vitro against PfENR in .sdf format. for the first molecular docking.</li> <li>.omv file of data used for ROC curve analysis.</li> <li>Library 2 with molecules structurally similar to the leader molecules LD1 and LD2 in .sdf format.</li> <li>CHJ and TCL standards used in molecular docking and DM.</li> <li>Chain A of the PDB coded structure 4IGE with NADH used in the molecular docking experiment.</li> <li>Input files for DM in PDB format:</li> </ul> <p>- PfENR_NAD_CHJ_DM</p> <p>- PfENR_NAD_LG1_DM</p> <p>- PfENR_NAD_LG2_DM</p> <p>- PfENR_NAD_TCL_DM</p> <ul> <li>The md file contains all the necessary data, including the scripts, for reproducing Molecular Dynamics.</li> </ul>
Kinetics of N2 Release from Diazo Compounds: A Combined Machine Learning-Density Functional Theory Study
<p>Total potential (E) and Thermal correction to Gibbs Free Energies obtained using SMD/M06-2X/def2-TZVP//SMD/M06-2X/6-31G(d) level of theory in dichloroethane and Cartesian coordinates for all of the calculated structures.</p> <p>dataset</p> <p>Python Machine Learning Script</p> <p> </p>
Knime workflow and data files to calculate a lead-likeness evaluation function 'Λ' for small molecule compounds
<p class="RSCB01COMAbstract"><span class="06CHeading"><span>A simple and rational method to rank molecules' lead-likeness using continuous evaluation functions was developed to support epigenetic drug discovery. This strategy proved to be highly effective on model chemical libraries and finally helped driving synthetic efforts towards candidates of interest for epigenetic applications towards HDAC6, BRD4 and EZH2.</span></span></p> <p>Here we provide sample data and the knime workflow for generatating lead-like chemical probes for epigenetics. This tool and example data set will enable researchers to establish this workflow in their own laboratories and apply it to new synthetic scaffolds for medicinal chemistry.</p>
Compound microscope
Nuremberg type compound microscope Time and place of creation: 2nd half of the 18th century, Germany Jagiellonian University Museum Collegium Maius Inventory number: 16196; 1772/V https://muzea.malopolska.pl/en/objects-list/2731 Source: Objaverse 1.0 / Sketchfab
This Is The First Study Using Escalating Doses Of PF-03758309, An Oral Compound, In Patients With Advanced Solid Tumors
ClinicalTrials.gov study NCT00932126. IPD Sharing: Not stated. Countries: 2. Publications: 1.
Pfs230D1M-EPA/AS01 Vaccine, a Transmission Blocking Vaccine Against Plasmodium Falciparum, in an Age De-Escalation Trial of Children and a Family Compound Trial in Mali
ClinicalTrials.gov study NCT03917654. IPD Sharing: Not stated. Countries: 1. Publications: 4.
Microvascular Angina Intervention With Compound Danshen Dripping Pill (MAIDS)
ClinicalTrials.gov study NCT06092736. IPD Sharing: YES. Countries: 1. Publications: 6.
Compound Sodium Alginate Double Action Chewable Tablet Symptomatic Relief Study
ClinicalTrials.gov study NCT01869491. IPD Sharing: Not stated. Countries: 1. Publications: 1.
Phase 2 Safety and Efficacy Study of a Vitamin D Compound (DP001) in Postmenopausal Women With Low Bone Mineral Density
ClinicalTrials.gov study NCT00715676. IPD Sharing: Not stated. Countries: 1. Publications: 3.
A Study Comparing the Injection Site Pain Experience After the Injection of Semaglutide B and Semaglutide D With 2 Different Injection Pens, a Compound for the Treatment of Type 2 Diabetes and Obesity
ClinicalTrials.gov study NCT04143945. IPD Sharing: YES. Countries: 1. Publications: 1.
Study Comparing Doses Of An Experimental Glucocorticoid Compound To Prednisone And Placebo In Rheumatoid Arthritis
ClinicalTrials.gov study NCT01393639. IPD Sharing: YES. Countries: 18. Publications: 1.
A Novel Compound for Alcoholism Treatment: A Translational Strategy - Part II
ClinicalTrials.gov study NCT02707055. IPD Sharing: Not stated. Countries: 1. Publications: 2.
A Study Comparing the Injection Site Pain Experience After the Injection of 2 Different Solutions of Semaglutide With 2 Different Injection Pens, a Compound for the Treatment of Type 2 Diabetes and Ob
ClinicalTrials.gov study NCT04007107. IPD Sharing: YES. Countries: 1. Publications: 1.
A Trial to Assess the Safety, Tolerability, and Pharmacokinetics of the Anti-Orthopoxvirus Compound Tecovirimat
ClinicalTrials.gov study NCT02474589. IPD Sharing: UNDECIDED. Countries: 1. Publications: 1.
ScienceDex guides
Understand access before you commit
These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
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.