| _version_ | 1866901749334278144 |
|---|---|
| author | NovaMechanics (Cyprus) |
| author_facet | NovaMechanics (Cyprus) |
| contents | <p><span>A library of 83 surface-modified MWCNTs, with an identical core of a controlled size distribution is included in this dataset as presented by Zhou et al., 2008 (</span><a href="https://doi.org/10.1021/nl0730155">https://doi.org/10.1021/nl0730155</a><span>). Since the surface modification differentiates the MWCNTs, each sample is represented by its ligands. Mold2 software included in KNIME through Enalos+ nodes was used in order to calculate 777 descriptors that encode two-dimensional chemical structure information of the ligants (License: </span><a href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a><span>.). For each MWCNT sample toxicity and biological activity (protein binding of carbonic anhydrase) data are included. More information about the data can be found in: </span><a href="https://doi.org/10.1039/C8NA00142A">https://doi.org/10.1039/C8NA00142A</a><span>. Access the relevant model through: </span><a href="http://www.enaloscloud.novamechanics.com/EnalosWebApps/CNT/">http://www.enaloscloud.novamechanics.com/EnalosWebApps/CNT/</a></p> <ul> <li>The dataset was originally published on the <a href="https://db.nanopharos.eu/Queries/Datasets.zul?datasetID=np7">NanoPharos Database</a>.</li> <li>More datasets are available via the <a href="https://db.nanopharos.eu/Queries/" target="_blank" rel="noopener">NanoPharos Database</a>.</li> </ul> |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_14865120 |
| institution | Zenodo |
| language | eng |
| publishDate | 2025 |
| publisher | Zenodo |
| record_format | zenodo |
| spellingShingle | Computational data for the toxicity and bioactivity assessment of 83 functionalized MWCNTs NovaMechanics (Cyprus) <p><span>A library of 83 surface-modified MWCNTs, with an identical core of a controlled size distribution is included in this dataset as presented by Zhou et al., 2008 (</span><a href="https://doi.org/10.1021/nl0730155">https://doi.org/10.1021/nl0730155</a><span>). Since the surface modification differentiates the MWCNTs, each sample is represented by its ligands. Mold2 software included in KNIME through Enalos+ nodes was used in order to calculate 777 descriptors that encode two-dimensional chemical structure information of the ligants (License: </span><a href="https://creativecommons.org/licenses/by/4.0/">CC-BY 4.0</a><span>.). For each MWCNT sample toxicity and biological activity (protein binding of carbonic anhydrase) data are included. More information about the data can be found in: </span><a href="https://doi.org/10.1039/C8NA00142A">https://doi.org/10.1039/C8NA00142A</a><span>. Access the relevant model through: </span><a href="http://www.enaloscloud.novamechanics.com/EnalosWebApps/CNT/">http://www.enaloscloud.novamechanics.com/EnalosWebApps/CNT/</a></p> <ul> <li>The dataset was originally published on the <a href="https://db.nanopharos.eu/Queries/Datasets.zul?datasetID=np7">NanoPharos Database</a>.</li> <li>More datasets are available via the <a href="https://db.nanopharos.eu/Queries/" target="_blank" rel="noopener">NanoPharos Database</a>.</li> </ul> |
| title | Computational data for the toxicity and bioactivity assessment of 83 functionalized MWCNTs |
| url | https://doi.org/10.5281/zenodo.14865120 |