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9 results for “materials informatics”

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zenodo40/100

Predicting particle quality attributes of organic crystalline materials using Particle Informatics

<p>Dataset related to the publication: "Predicting particle quality attributes of organic crystalline materials using Particle Informatics" published in Powder Technology (<a title="Go to table of contents for this volume/issue" href="https://www.sciencedirect.com/journal/powder-technology/vol/443/suppl/C"><span>Volume 443</span></a>, 1 July 2024, 119927Volume 443, 1 July 2024, 119927). In this work, a novel quercetin solvate of dimethylformamide (QDMF) was studied. The crystal structure was solved using single crystal X-ray diffraction and analysed using synthon analysis and other particle informatics tools (<em>e.g.</em>, solvate analyser). The thermal behaviour and thermodynamic stability of QDMF were studied experimentally using Raman spectroscopy, ATR-FTIR spectroscopy, differential scanning calorimetry, and thermogravimetric analysis. A clear relationship between the two-step desolvation behaviour of QDMF and the type, strength, and directionality of the main bulk synthons characterizing the QDMF structure was observed. Additionally, the attachment energy model was used to predict the QDMF morphology, together with facet-specific topology and chemical nature of each of the dominant {001}, {110}, and {200} facets. The {200} facet was found to be significantly rougher than the other two; whereas, the {110} was characterized by a higher percentage of exposed DMF molecules compared to the other two facets. Specific scanning electron microscopy and contact angle measurements were used to experimentally detect differences among the three facets and validate the modelling results.</p>

opencc-by-4.0Jun 2024View details →
dryad36/100

Decoratype-based materials informatics: Polaritype identification, convex hull DFT calculations, training data, and predicted compounds data

Open the record for dataset details and reuse information.

publicDec 2025View details →
zenodo32/100

Supplementary material 3 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

Supplementary material 3 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

opencc-zeroDec 2019View details →
zenodo32/100

Supplementary material 1 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

Supplementary material 1 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

opencc-zeroDec 2019View details →
zenodo32/100

Supplementary material 2 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

Supplementary material 2 from: Taylor PJ, Neef G, Keith M, Weier S, Monadjem A, Parker DM (2018) Tapping into technology and the biodiversity informatics revolution: updated terrestrial mammal list of Angola, with new records from the Okavango Basin. ZooKeys 779: 51-88. https://doi.org/10.3897/zookeys.779.25964

opencc-zeroDec 2019View details →
zenodo32/100

Bibliographic Analysis Data for PLGA vs Liposomes Comparison Emphasizing on Material Informatics

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opencc-by-4.0Sep 2024View details →
zenodo28/100

Supplementary material 3 from: Bingham H, Doudin M, Weatherdon L, Despot-Belmonte K, Wetzel F, Groom Q, Lewis E, Regan E, Appeltans W, Güntsch A, Mergen P, Agosti D, Penev L, Hoffmann A, Saarenmaa H, Geller G, Kim K, Kim H, Archambeau A, Häuser C, Schmeller D, Geijzendorffer I, García Camacho A, Guerra C, Robertson T, Runnel V, Valland N, Martin C (2017) The Biodiversity Informatics Landscape: Elements, Connections and Opportunities. Research Ideas and Outcomes 3: e14059. https://doi.org/10.3897/rio.3.e14059

Figures 1 -3: high resolution

opencc-zeroJun 2017View details →
zenodo28/100

Supplementary material 2 from: Bingham H, Doudin M, Weatherdon L, Despot-Belmonte K, Wetzel F, Groom Q, Lewis E, Regan E, Appeltans W, Güntsch A, Mergen P, Agosti D, Penev L, Hoffmann A, Saarenmaa H, Geller G, Kim K, Kim H, Archambeau A, Häuser C, Schmeller D, Geijzendorffer I, García Camacho A, Guerra C, Robertson T, Runnel V, Valland N, Martin C (2017) The Biodiversity Informatics Landscape: Elements, Connections and Opportunities. Research Ideas and Outcomes 3: e14059. https://doi.org/10.3897/rio.3.e14059

MATLAB code

opencc-zeroJun 2017View details →
zenodo28/100

Supplementary material 1 from: Bingham H, Doudin M, Weatherdon L, Despot-Belmonte K, Wetzel F, Groom Q, Lewis E, Regan E, Appeltans W, Güntsch A, Mergen P, Agosti D, Penev L, Hoffmann A, Saarenmaa H, Geller G, Kim K, Kim H, Archambeau A, Häuser C, Schmeller D, Geijzendorffer I, García Camacho A, Guerra C, Robertson T, Runnel V, Valland N, Martin C (2017) The Biodiversity Informatics Landscape: Elements, Connections and Opportunities. Research Ideas and Outcomes 3: e14059. https://doi.org/10.3897/rio.3.e14059

Biodiversity Informatics Landscape Matrix

opencc-zeroJun 2017View details →

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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.

allen-brain-atlas
neuroscienceopenDocumentation, web resources, and API references are available online.
Last verified 2026-04-30Open record

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.

abode-home-cage
behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.
Last verified 2026-04-30Open record

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.

dandi-nwb
electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.
Last verified 2026-04-30Open record

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.

ibl
behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.
Last verified 2026-04-29Open record

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.

openneuro
neuroscienceopenPublished datasets are available on demand over the internet.
Last verified 2026-04-29Open record