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ShareScore release 0.9.0
Dataset results
9 results for “compound data analysis”
Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity
<p>The deposited files contain balanced data sets of multi-target (MT) and single-target (ST) compounds (CPDs) used for machine learning studies (https://dx.doi.org/10.1021/acs.molpharmaceut.0c00901). The first file (st_mt_data.tsv) contains 15,142 MT- and 15,081 ST-CPDs and the second (st_dt_data.tsv) 1828 DT- and 1776 ST-CPDs. For each CPD, a nonstereo_aromatic_SMILES representation, the original ChEMBL_cid, UniProt (target) IDs, and CPD category (CPD_CAT) (i.e. DT/MT/ST) is provided. DT stands for 'diverse-target' and denotes a subset of MT-CPDs (as detailed in the publication). In addition, a CPD is tagged “Y” if it continued to be present in the data set after removal of 50% randomly selected CPDs or 50% CPD nearest neighbors (NN), respectively.</p>
The metabolomics raw data and a supporting statistical analyses data set for publication: Metabolomic analysis revealed the absence of the principal antimicrobial compound of Pseudomonas donghuensis P482, 7-hydroxytropolone, under restricted nutrient conditions.
<p><a href="../api/records/11220997/draft/files/Metabolomic%20analyses%20raw%20files.zip/content" target="_blank" rel="noopener noreferrer">Metabolomic analyses raw files</a>, Compounds analyses, Hierarchical Condition tress and PCA Scores are uploaded.</p>
Data from: An optimized protocol for large-scale in situ sampling and analysis of volatile organic compounds
Chemical ecology is an ever‐expanding field with a growing interest in population‐ and community‐level studies. Many such studies are hindered due to lack of an efficient and accelerated protocol for large‐scale sampling and analysis of chemical compounds. Here, we present an optimized protocol for such large‐scale study of volatiles. A large‐scale in situ study to understand role of semiochemicals in variation in mating success of lekking blackbuck was conducted. Suitable methods for sampling and statistical analysis were identified by testing and comparing the efficiencies of available techniques to reduce analysis time while retaining sensitivity and comprehensiveness. Solid‐phase extraction using polydimethylsiloxane, analysis using a semiautomated detection of retention time and base peak, and statistical analysis using random forest algorithm were identified as the most efficient methods for large‐scale in situ sampling and analysis of volatiles. The protocol for large‐scale volatile analysis can facilitate evolutionary and metaecological studies of volatiles in situ from all types of biological samples. The protocol has potential for wider application with the analysis and interpretation methods being suitable for all kinds of semiochemicals, including nonvolatile chemicals.
Data from: Comparative chemical analysis of volatile compounds of Echinops ilicifolius using hydrodistillation and headspace solid-phase microextraction and the antibacterial activities of its essential oil
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Data from: An optimized protocol for large-scale in situ sampling and analysis of volatile organic compounds
Open the record for dataset details and reuse information.
Data sets for compound promiscuity analysis and predictions
<p>Deposited are three data sets containing compounds with multi- or single-target activity, which were assembled from the PubChem BioAssay database for promiscuity predictions [1]. The design and composition of these data sets are described in the original publication [1] and a forthcoming data note detailing the deposition. A brief summary of the data structure is provided in the readme.txt file accompanying the data sets.</p>
Data from: Developmental plasticity, morphological variation and evolvability: a multilevel analysis of morphometric integration in the shape of compound leaves
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Data from: Compound-specific isotope analysis of amino acids as new tool to uncover trophic chains in soil food webs
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Data to: Downscaling and uncertainty analysis of future compound long-duration dry and hot events in China
<p>This dataset contains the data to generate the results in the manuscript "Downscaling and uncertainty analysis of future compound long-duration dry and hot events in China". The downscaled results (BCSD, BCCI, BCCAQ, and CDF-t) are created by R.</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.