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25 results for “PubChem”
Dados provenientes da análise do repositório PubChem com a ferramenta FairDataBR
<p>Análise realizada com conjuntos de dados referentes ao medicamento Cloroquina disponibilizados no repositório químico PubChem.</p> <p>No quadro a seguir são descritos os conjuntos de dados selecionados:</p> <p> </p> <table> <tbody> <tr> <td> <p><strong>GRUPO</strong></p> </td> <td> <p><strong>N° DE REGISTROS RECUPERADOS</strong></p> </td> <td> <p><strong>CONJUNTO DE DADOS SELECIONADO</strong></p> </td> <td> <p><strong>LINK</strong></p> </td> </tr> <tr> <td> <p><strong>C</strong>omposto</p> </td> <td> <p>65</p> </td> <td> <p>Chloroquine </p> </td> <td> <p><a href="https://pubchem.ncbi.nlm.nih.gov/compound/2719">https://pubchem.ncbi.nlm.nih.gov/compound/2719</a> </p> </td> </tr> <tr> <td> <p>Substância</p> </td> <td> <p>549</p> </td> <td> <p>Chloroquine </p> </td> <td> <p><a href="https://pubchem.ncbi.nlm.nih.gov/substance/53787949">https://pubchem.ncbi.nlm.nih.gov/substance/53787949</a> </p> </td> </tr> <tr> <td> <p>Proteína</p> </td> <td> <p>15</p> </td> <td> <p>Chloroquine resistance transporter</p> </td> <td> <p><a href="https://pubchem.ncbi.nlm.nih.gov/protein/Q9N623">https://pubchem.ncbi.nlm.nih.gov/protein/Q9N623</a> </p> </td> </tr> <tr> <td> <p>Bioensaio</p> </td> <td> <p>10706</p> </td> <td> <p>Resistance modification index, ratio of IC50 for chloroquine in presence of compound to IC50 for chloroquine alone for chloroquine-resistant Plasmodium falciparum W2</p> </td> <td> <p><a href="https://pubchem.ncbi.nlm.nih.gov/bioassay/594605">https://pubchem.ncbi.nlm.nih.gov/bioassay/594605</a> </p> </td> </tr> <tr> <td> <p>Patente</p> </td> <td> <p>364</p> </td> <td> <p>Chloroquine analogs and methods of preventing and treating plasmodial disease</p> </td> <td> <p><a href="https://pubchem.ncbi.nlm.nih.gov/patent/WO-9640138-A1">https://pubchem.ncbi.nlm.nih.gov/patent/WO-9640138-A1</a> </p> </td> </tr> </tbody> </table>
PubChem and GDB-13 datasets
Open the record for dataset details and reuse information.
PubChem lists to Study the Exposome of Mild Cognitive Impairment and Alzheimer's Disease on Cerebrospinal Fluid
<p>Collection of 4 lists of chemicals associated to Alzheimer's disease (AD) and related disorders. </p> <p>The following table describes the mentioned lists. </p> <table> <tbody> <tr> <td>Name</td> <td>Description</td> </tr> <tr> <td>AD-database</td> <td>Database of 41,917 chemicals related to AD and other neurodegenerative disorders. CIDs co-ocurring with the 27 selected MeSH terms (*see below) were merged and mapped to the parent CIDS.</td> </tr> <tr> <td>TOP1</td> <td>List of 1,268 chemicals having D000544 (AD MeSH code) as the first neighbor .</td> </tr> <tr> <td>SC20</td> <td>List of 247 chemicals created after truncating by 1/20 of the maximum co-ocurrence score of the chemical neighbors for D000544. </td> </tr> <tr> <td>AD-CTD</td> <td>List of 86 chemicals specifically related to AD in the Comparative Toxicogenomic Database (CTD)</td> </tr> </tbody> </table> <p> *Selected MeSH terms for the AD-database: D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647,D000647 and D000647.</p> <p>HMDB-CSF can be downloaded <a href="https://csfmetabolome.ca/downloads"><strong>here</strong></a>.</p> <p>PubChemLite for Exposomics (version 1.12.0) can be found <a href="https://doi.org/10.5281/zenodo.6936117"><strong>here</strong></a>.</p>
PubChem Compound TOC: Drug and Medication Information
<p><strong>ABSTRACT: </strong>PubChem, a widely used chemical information resource, has undergone notable transformations in the last two years. Over 120 data sources have been incorporated into PubChem, enriching its data repository. Key highlights of the updates include the integration of Google Patents data, which significantly expanded the PubChem Patent collection's coverage. Additionally, new data collections for Cell Line and Taxonomy were introduced, offering convenient access to chemical information based on specific cell lines and taxa. The bioassay data model was updated to enhance its functionality. Moreover, PubChem's programmatic access protocols, PUG-REST and PUG-View, received enhancements, including support for target-centric data download and the 'standardize' option for returning standardized chemical structures. Furthermore, PubChemRDF underwent a substantial update. This paper presents a comprehensive overview of these transformative changes.</p> <p><strong>Instruction: </strong>Data underwent a cleaning process involving the removal of duplicates. Collaboratively with my colleague, we identified and eliminated redundant columns from the dataset. Additionally, we successfully modified the names of certain columns to enhance clarity and eliminate redundancy.</p> <p><strong>Inspiration: </strong>The dataset was uploaded to UBRITE for "DGR_DEPOT" summer 2023 team project</p> <p><strong>Acknowledgements: </strong>Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A Shoemaker, Paul A Thiessen, Bo Yu, Leonid Zaslavsky, Jian Zhang, Evan E Bolton</p> <p>Kim, Sunghwan et al. “PubChem 2023 update.” <em>Nucleic Acids Res.</em> vol. 51,D1 (2023): D1373-D1380. <a href="https://doi.org/10.1093/nar/gkac956">doi:10.1093/nar/gkac956</a></p> <p><strong>UBRITE LAST UPDATED July 1, 2023</strong></p>
Various PubChem lists for Parkinson's Disease and related disorders
<p>Collection of 8 lists of chemicals associated to Parkinson's disease (PD) and related disorders.</p> <p>PubChem functionality relating Medical Subject Headings (MeSH) information on certain disease endpoints to chemicals was explored to create the lists.</p> <p>The following table describes the mentioned lists. </p> <table> <tbody> <tr> <td>Name</td> <td>Description</td> </tr> <tr> <td>PD-MetFrag</td> <td>MetFrag database of 21,303 chemicals related to PD, PD Secondary, Parkinsonian disorders, Lewy body disease, Alzheimer disease, dementia, Huntington disease and neurodegenerative disorders</td> </tr> <tr> <td>PD-CTD</td> <td>List of 296 chemicals associated to PD in the Comparative Toxicogenomic Database (CTD), extracted via the CTD integration within PubChem</td> </tr> <tr> <td>D003248 </td> <td>List of 3,943 chemicals related to Constipation Disorders</td> </tr> <tr> <td>D000857 </td> <td>List of 688 chemicals related to Olfactory Impairment</td> </tr> <tr> <td>D003863 </td> <td>List of 363 chemicals associated to Depression Disorders</td> </tr> <tr> <td>D001008 </td> <td>List of 8,433 chemicals associated to Anxiety Disorders</td> </tr> <tr> <td>D020920</td> <td>List of 59 chemicals related to Dyssomnias</td> </tr> <tr> <td>D012893</td> <td>List of 2,781 chemicals associated to Sleep Wake Disorders</td> </tr> </tbody> </table> <p>Further details can be found in the published manuscript (https://doi.org/10.1007/s00216-022-04207-z).</p>
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.