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598
datasets available to search
ShareScore release 0.9.0
Dataset results
598 results for “Small molecules”
Cellular active small molecule inhibitors of Mycobacterium tuberculosis by NMR fragment screen
GEO Series GSE17424. Mycobacterium tuberculosis H37Rv. 8 samples. Type: Expression profiling by array.
Brown Adipogenic Reprogramming Induced by a Small Molecule
GEO Series GSE52364. Mus musculus. 4 samples. Type: Expression profiling by array.
Direct Reprogramming of Fibroblasts into Functional Mammary Epithelial cells by small molecules II
GEO Series GSE217339. Capra hircus. 14 samples. Type: Expression profiling by high throughput sequencing.
Predicting the skin sensitization potential of small molecules with machine learning models trained on biologically meaningful descriptors
<p>In recent years a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within their applicability domains but, as a result of the use of molecular fingerprints and other non-intuitive descriptors, the interpretability of the existing models is clearly limited. The aim of this work is to develop a strategy to replace the non-intuitive features by predicted outcomes of bioassays. We show that such replacement is indeed possible and that as few as ten interpretable, predicted bioactivities are sufficient to reach competitive performance. On a holdout data set of 257 compounds, the best model ("Skin Doctor CP:Bio") obtained an efficiency of 0.82 and an MCC of 0.52 (at the significance level of 0.20). Skin Doctor CP:Bio is available from the authors free of charge for academic research. The modeling strategies explored in this work are easily transferable and could be adopted for the development of more interpretable machine learning models for the prediction of the bioactivity and toxicity of small organic compounds.</p> <p>The corresponding research article has been published in <em>Pharmaceuticals</em> <strong>2021</strong>, <em>14</em>(8), 790, DOI: <a href="https://doi.org/10.3390/ph14080790">https://doi.org/10.3390/ph14080790</a></p>
Small molecules adsorption energy prediction
<p>This is a dataset, which includes small molecules adsorption energies on various substrates.</p>
A coordinated attack by a bacterial secretion system and a small molecule drives prey specificity
GEO Series GSE270023. Vibrio parahaemolyticus; Aeromonas dhakensis. 10 samples. Type: Expression profiling by high throughput sequencing.
Functional Characterization of a Potent and Novel BET Inhibitor BBC1115 Identified from DNA-encoded Small Molecule Library Screening
GEO Series GSE198843. Mus musculus. 17 samples. Type: Genome binding/occupancy profiling by high throughput sequencing; Expression profiling by high throughput sequencing.
Selective lymphoma cell killing by a PRC2 small molecule inhibitor (Exon array)
GEO Series GSE40474. Homo sapiens. 2 samples. Type: Expression profiling by array.
Stabilization of the Max homodimer with a small molecule attenuates Myc-driven transcription
GEO Series GSE125863. Homo sapiens. 14 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Effects of small molecules targeting the androgen receptor DNA-binding domain on prostate cancer cell transcriptome
GEO Series GSE127816. Homo sapiens. 12 samples. Type: Expression profiling by high throughput sequencing.
Expression data from C6 glioma and small molecule induced glial cells (SMiG)
GEO Series GSE101338. Rattus norvegicus. 2 samples. Type: Expression profiling by array.
Efficacy of small molecule inhibitors and genetic interference of cGAS-STING axis on development of the senescence-associated secretory phenotype (SASP) in human stromal cells
GEO Series GSE128420. Homo sapiens. 18 samples. Type: Expression profiling by high throughput sequencing.
Impact of small molecule and genetic inhibition of PKM2 in muscle progenitor cells
GEO Series GSE165746. Mus musculus. 5 samples. Type: Expression profiling by high throughput sequencing.
Expression data from C6 glioma and small molecule induced cells (SMiN)
GEO Series GSE98656. Rattus norvegicus. 2 samples. Type: Expression profiling by array.
Tpl-2 and MEK small molecule inhibitors
GEO Series GSE84162. Homo sapiens. 50 samples. Type: Expression profiling by high throughput sequencing; Expression profiling by array.
Temperature Dependent External Quantum Efficiency, Electroluminescence and Open-Circuit Voltage of Organic Small Molecule-Fullerene Bulk Heterojunction Solar Cells
<p>temperature dependent spectroscopy data of small-molecule donor:fullerene acceptor solar cells</p> <p>* photovoltaic external quantum efficiency</p> <p>* electroluminescence emission</p> <p>* open-circuit voltage</p>
Multimerizations, Aggregation, and Transfer Reactions of Small Numb ers of Molecules
<p>All input (parameter, configuration, and topology) files of R1 and R2 series of simulations necessary to reproduce all data described in the paper: "Multimerizations, Aggregation, and Transfer Reactions of Small Numbers of Molecules"</p> <p> </p>
MolToxPred: Small molecule toxicity prediction using machine learning approach
<p>SMILES data of training, test set, and another dataset with 180 molecules of the external validation set. Data has been curated from various sources as mentioned in the manuscript.</p>
ScienceDex guides
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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.