Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
4
datasets available to search
ShareScore release 0.9.0
Dataset results
4 results for “Compound promiscuity”
Highly promiscuous compounds from PubChem assays
<p>For the pool of 466 detected highly promiscuous compounds the PubChem ID and the corresponding ChEMBL ID(s) are provided. In addition, the detection status is set to "pains" or "aggregator" if the compound was detected as PAINS or an aggregator, respectively. Otherwise the status is set "passed". "ChEMBL analogues" lists the ChEMBL compound IDs of structural analogs of highly promiscuous compounds (if available). For the 466 compounds the number of targets and the corresponding PubChem target IDs are given in the last two columns. Compounds 1-26 (Compound No. 1-26) correspond to compounds shown in the publication.</p>
Distinguishing between pan assay interference compounds (PAINS) that are promiscuous or represent dark chemical matter - data set and prediction models
<p>Data sets of promiscuous PAINS (PROM_PAINS) and dark chemical matter PAINS (DCM_PAINS) are provided and support vector machine models built on the basis of original and balanced training data (see readme.txt).<br> </p>
Promiscuous compounds with activity against different target classes
<p>Reported are 1063 promiscuous compounds with activity against multiple target classes identified in PubChem. The tab-separated file consists of four columns:</p> <p>- cid: compound identifier (CID) from PubChem</p> <p>- NonstereoAromaticSMILES: SMILES representation of a compound</p> <p>- Number_of_tested_targets: total number of targets a compound was tested against in PubChem</p> <p>- PD: promiscuity degree (PD) of a compound, defined as the number of targets it was found active against</p>
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>
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.