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3 results for “Promiscuity cliffs”
Promiscuity cliffs (PCs), promiscuity cliff pathways (PCPs), and promiscuity hubs (PHs) formed by inhibitors of human kinases
<p>The PC, PCP, and PH data structures have been introduced for the analysis of compound promiscuity [1-3]. A comprehensive collection of PCs, PCPs, and PHs formed by kinase inhibitors covering more than 80% of the human kinome is made available. See readme.txt for more information regarding the provided files.</p> <p>References:</p> <ol> <li>Dimova, D.; Gilberg, E.; Bajorath, J. Identification and Analysis of Promiscuity Cliffs Formed by Bioactive Compounds and Experimental Implications. RSC Adv. 2017, 7, 58–66.</li> <li>Miljković, F.; Bajorath, J. Computational Analysis of Kinase Inhibitors Identifies Promiscuity Cliffs across the Human Kinome. ACS Omega 2018, 3, 17295–17308.</li> <li>Miljković, F; Vogt, M; Bajorath, J. Systematic Computational Identification of Promiscuity Cliff Pathways Formed by Inhibitors of the Human Kinome. J. Comput. Aided Mol. Des. 2019, in press, doi: doi.org/10.1007/s10822-019-00198-9</li> </ol>
784 promiscuity cliffs from ChEMBL
<p>Reported are the 784 promiscuity cliffs formed by compounds from medicinal chemistry sources. Compounds forming cliffs are provided as SMILES. For each compound its promiscuity degree (PD) and the list of ChEMBL target IDs are provided. </p>
High-Priority Promiscuity Cliffs from PubChem
<p>A representative sample of 278 high-priority promiscuity cliffs identified from PubChem is provided. These promiscuity cliffs were formed by pairs of structurally analogous compounds with a difference in promiscuity degrees of at last 20 targets. These compounds were tested in at least 300 shared primary assays (SA) and showed assay similarity (AS) and assay frequency ratio (AFR) values of at least 0.85. A README file is also given.</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.