cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8058964
title: Pharmacological dataset on drug-induced TdP risk assessment

description: A manually collected dataset that investigates the proarrhythmic risk of 109 drugs using parameters obtained from biophysical models. The dataset defines 4 torsade de pointes (TdP) risk categories in the parameter “class”.  For each of 109 drugs, IC50 values and Hill coefficients (h) for INa, INaL, IKr, Ito, ICaL, IK1, and IKs and human effective free therapeutic plasma concentration (EFTPC) were obtained (Llopis-Lorente et al., 2020). Detailed description follows. A dash in the dataset means that no value was found publicly available, thus it was considered that the drug effect on that current was negligible. The dataset can be used (and is important) while studing causal discovery methods to infer ion channels selection for the drug-induced TdP risk

 

Summary: 



Size of dataset: 109 x 16

Task: Causal Discovery

Data Type: Mixed

Dataset Scope: Standalone

Ground Truth: Unknown

Temporal Structure: Static

License: TBD

Missing Values: Yes


 

Features:



Class - class of the drug according to the torsade de pointes (TdP) is a life-threatening arrhythmia characterised by a gradual change in the amplitude and twisting of the QRS complexes.  Class 1 (known risk of TdP), class 2 (possible risk of TdP), class 3 (conditional risk of TdP), class 4 (drugs with a lack of evidence of TdP).

EFTPC —effective free therapeutic plasma concentration, defined as the drug concentration in the plasma required to produce the desired therapeutic effect in the body.

IC50- value that represents the minimal concentration of a drug that is required for 50% inhibition in vitrovalues (given in nm).

hIKr, hINa,hINaL, hICaL, hIKs, hIK1, hIto - Hill coefficients of the currents.


 

Files: 



med_file.csv: dataset

medications_description.Rmd: R executable summary of med_file.csv

medications_description.html: html rendering of medications_description.Rmd
DOI: 10.5281/zenodo.14865365
title: CyaA blocks M-CSF triggered upregulation of iron acquisition receptors on monocytes

description: FACS data do the publication
DOI: 10.5281/zenodo.14865366
title: CyaA blocks M-CSF triggered upregulation of iron acquisition receptors on monocytes

description: FACS data do the publication
DOI: 10.15468/dl.929d9f
title: Occurrence Download

description: A dataset containing 235 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Kaiwarinus equula (Temminck & Schlegel, 1844)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 235 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000030-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6pdfqu
title: Occurrence Download

description: A dataset containing 385 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Cnemathraupis aureodorsalis (Blake & Hocking, 1974)"
 ]
}

 The dataset includes 385 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000032-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5519/qd.gp956keg
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3 records)
DOI: 10.15468/dl.nhhu79
title: Occurrence Download

description: A dataset containing 57293 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Rhinella marina (Linnaeus, 1758))"
 ]
}

 The dataset includes 57293 records from 395 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000031-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.smxryy
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Caranx equula Temminck & Schlegel, 1844",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 12 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000033-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.18150/eclurn
title: The Dominance of Pretransitional Effects in Liquid Crystal-Based Nanocolloids: Nematogenic 4-methoxybenzylidene-4′–butylaniline with Transverse Permanent Dipole Moment and BaTiO3 Nanoparticles

description: The results of broadband dielectric spectroscopy studies of 4-methoxybenzylidene-4′–butylaniline (MBBA) liquid crystal and its colloids doped with paraelectric BaTiO3 nanoparticles (diameter d = 50 nm, the cubic crystal system, nanoparticles concentrations: 0.01, 0.05, 0.1, 0.5, 1 wt%). The data was collected on cooling from 360 K to 123 K. Complex dielectric permittivity was measured in the frequency range from 1 Hz to 10 MHz using the Novocontrol Alpha-A analyzer. The results include frequency changes in the real (ε’( f )) and the imaginary (ε’’( f )) part of the complex dielectric permittivity, temperature changes of loss tangent (tan(δ)), relative changes in the dielectric permittivity (∆ε’(f)=ε’(f)-ε’(116 kHz)) and DC conductivity (σ). The files included in this collection are:Fig_1-3_A1.txt – dielectric spectra – complex dielectric permittivity vs frequency (ε’( f ), (ε’’( f ))Fig_4-8.txt – the dielectric constant vs temperature (ε(T))Fig_9-11.txt – relative changes in the dielectric permittivity vs temperature (∆ε’(f,T)=ε’(f,T)-ε’(116 kHz,T))Fig_12-13.txt – DC conductivity vs temperature (σ(T)).Fig_14-16.txt – dielectric spectra– loss tangent vs temperature (tan(δ)(T))
DOI: 10.15468/dl.tn8d4e
title: Occurrence Download

description: A dataset containing 2872 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Festuca indigesta Boiss."
 ]
}

 The dataset includes 2872 records from 99 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000034-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.quzx25
title: Occurrence Download

description: A dataset containing 269 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is CHN.15.4_1",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Apidae"
 ]
}

 The dataset includes 269 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000035-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5519/qd.v9moa8wp
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3 records)
DOI: 10.5517/ccdc.csd.cc280x3b
title: CCDC 2086241: Experimental Crystal Structure Determination

description: Related Article: Ya-Nan Zhou, Dong-Yan Liu, Jia-Hui Yu, Xin Li, Cui-Ying Huang, Han-Wen Zheng, Cheng-Qi Jiao, Yan-Yu Zhu, Zhen-Gang Sun|2025|J.Mol.Struct.|1329|141418|doi:10.1016/j.molstruc.2025.141418
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc29jdpy
title: CCDC 2130930: Experimental Crystal Structure Determination

description: Related Article: A. Hemamalini, C. Rajarathinam, M. Wilson Bosco Paul, A. Irudaya Jothi|2025|J.Mol.Struct.|1329|141425|doi:10.1016/j.molstruc.2025.141425
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2b8cww
title: CCDC 2153008: Experimental Crystal Structure Determination

description: Related Article: A. Hemamalini, C. Rajarathinam, M. Wilson Bosco Paul, A. Irudaya Jothi|2025|J.Mol.Struct.|1329|141425|doi:10.1016/j.molstruc.2025.141425
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2bzrx0
title: CCDC 2174523: Experimental Crystal Structure Determination

description: Related Article: Biao Yu, Jinlong Xing, Peng Zhang, Ruiyang Gao, Shiwei Lin, Ke Jiang, Ling Zhang|2025|Inorg.Chem.|64|1258|doi:10.1021/acs.inorgchem.4c05080
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2frtbc
title: CCDC 2257213: Experimental Crystal Structure Determination

description: Related Article: Zhe Wang, Hui Zhang, Yingqi Xia, Qi Lai, Ping Yin, Siping Pang|2025|Org.Lett.|27|1060|doi:10.1021/acs.orglett.4c04775
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2frtcd
title: CCDC 2257214: Experimental Crystal Structure Determination

description: Related Article: Zhe Wang, Hui Zhang, Yingqi Xia, Qi Lai, Ping Yin, Siping Pang|2025|Org.Lett.|27|1060|doi:10.1021/acs.orglett.4c04775
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hppws
title: CCDC 2314766: Experimental Crystal Structure Determination

description: Related Article: P. Suppuraj, R. Aadhithan, M. Santhamoorthy, A.S. Normamatov, A.B. Ibragimov, Kareem Yusuf, L. Guganathan, Ahmed M. Aljuwayid, N. Vijayan, I.B. Tulaganovich, C. Balakrishnan|2025|J.Solid State Chem.|344|125204|doi:10.1016/j.jssc.2025.125204
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hppxt
title: CCDC 2314767: Experimental Crystal Structure Determination

description: Related Article: P. Suppuraj, R. Aadhithan, M. Santhamoorthy, A.S. Normamatov, A.B. Ibragimov, Kareem Yusuf, L. Guganathan, Ahmed M. Aljuwayid, N. Vijayan, I.B. Tulaganovich, C. Balakrishnan|2025|J.Solid State Chem.|344|125204|doi:10.1016/j.jssc.2025.125204
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2hxbxp
title: CCDC 2321153: Experimental Crystal Structure Determination

description: Related Article: Ashvani Yadav, Vishal Kumar Singh, Rohit Kumar, Vikas Yadav, Ashish Kumar Kushwaha, Vikas Kumar Rana, Ajay Kumar, Virendra Prasad|2025|J.Mol.Struct.|1329|141346|doi:10.1016/j.molstruc.2025.141346
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jddhv
title: CCDC 2335617: Experimental Crystal Structure Determination

description: Related Article: Zhuo Wang, Chengqian Li, Yupeng Fan, Jianliang Hu, Wangsheng Huang, Yuanming Li, Zhiguang Song|2025|Tetrahedron|173|134470|doi:10.1016/j.tet.2025.134470
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kgs0v
title: CCDC 2367687: Experimental Crystal Structure Determination

description: Related Article: Ashvani Yadav, Vishal Kumar Singh, Rohit Kumar, Vikas Yadav, Ashish Kumar Kushwaha, Vikas Kumar Rana, Ajay Kumar, Virendra Prasad|2025|J.Mol.Struct.|1329|141346|doi:10.1016/j.molstruc.2025.141346
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2kxf86
title: CCDC 2380808: Experimental Crystal Structure Determination

description: Related Article: Hritwik Haldar, Satyabrata Das, Haakon T. A. Wiedemann, Katrin Beuthert, Christopher W. M. Kay, Stefanie Dehnen, Cem B. Yildiz, Moumita Majumdar|2025|J.Am.Chem.Soc.|147|3140|doi:10.1021/jacs.4c12354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2l1vj1
title: CCDC 2385063: Experimental Crystal Structure Determination

description: Related Article: Meng-Xia Ma, Ting-Hong Huang, Jie Zhao|2025|Inorg.Chim.Acta|578|122544|doi:10.1016/j.ica.2025.122544
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2l1vk2
title: CCDC 2385064: Experimental Crystal Structure Determination

description: Related Article: Meng-Xia Ma, Ting-Hong Huang, Jie Zhao|2025|Inorg.Chim.Acta|578|122544|doi:10.1016/j.ica.2025.122544
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.14812416
title: NEB files for "Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on  Bimetallic Systems"
DOI: 10.5281/zenodo.14812417
title: NEB files for "Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on  Bimetallic Systems"
DOI: 10.5281/zenodo.14853202
title: NEB files for "Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on  Bimetallic Systems"
DOI: 10.5281/zenodo.14857714
title: NEB files for "Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on  Bimetallic Systems"
DOI: 10.5281/zenodo.14861151
title: NEB files for "Machine-Learning-Accelerated Conformal Sampling of Methanol Catalytic Conversion on  Bimetallic Systems"
DOI: 10.15468/dl.3nhahe
title: Occurrence Download

description: A dataset containing 288 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Zenopsis nebulosa (Temminck & Schlegel, 1845)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 288 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000036-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14865358
title: Raygal chains - joint redshift bins

description: raygal_multiz_pbj.tar.gz: Chains from the analysis of the Raygal simulations for wCDM

raygal_multiz_pbj_fixedAs.tar.gz: Chains from the analysis of the Elephant simulations for wCDM with fixed As

kmax = [0.16, 0.18, 0.20, 0.22, 0.24]

redshifts = [1.0, 2.0] (all joint)

observables = [P0, P2]

sampled parameters = [b1,  c2, omega_c, omega_b, h,  As, ns, w]

analytically marginalised parameters = [bG3, c0, c2, aP, e0k2, e2k2]
DOI: 10.15468/dl.34s69j
title: Occurrence Download

description: A dataset containing 1970 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Rhinophrynus dorsalis Duméril & Bibron, 1841)"
 ]
}

 The dataset includes 1970 records from 52 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000037-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nyxunr
title: Occurrence Download

description: A dataset containing 23681 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Living Specimen)",
 "Geometry POLYGON((-8.34636 49.99205,5.53061 49.99205,5.53061 55.54046,-8.34636 55.54046,-8.34636 49.99205))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Muscardinus avellanarius (Linnaeus, 1758)",
 "Year 2015-2025"
 ]
}

 The dataset includes 23681 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ba5qqe
title: Occurrence Download

description: A dataset containing 680 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "TaxonKey is one of (Rhyacotriton cascadae Good & Wake, 1992)"
 ]
}

 The dataset includes 680 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000041-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14779126
title: Dataset for publication: Geometry Optimization of a Highly Flexible Gradient Metamaterial Structure Using a Differential Evolution Algorithm

description: Dataset for a publication "Geometry Optimization of a Highly Flexible Gradient Metamaterial Structure Using a Differential Evolution Algorithm".

The dataset contains inital data used for the geometry optimization - skin geometric parameters and material properties, target shapes of the morphing wing airfoil; and raw results from the optimization.

There also included high-resolution pictures of figures used in the paper.

 

For further details, please read the README.txt file.
DOI: 10.5281/zenodo.14779127
title: Dataset for publication: Geometry Optimization of a Highly Flexible Gradient Metamaterial Structure Using a Differential Evolution Algorithm

description: Dataset for a publication "Geometry Optimization of a Highly Flexible Gradient Metamaterial Structure Using a Differential Evolution Algorithm".

The dataset contains inital data used for the geometry optimization - skin geometric parameters and material properties, target shapes of the morphing wing airfoil; and raw results from the optimization.

There also included high-resolution pictures of figures used in the paper.

 

For further details, please read the README.txt file.
DOI: 10.15468/dl.zqdrdk
title: Occurrence Download

description: A dataset containing 312 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Tunisia, Algeria, Chad, Sudan, Egypt, Mauritania, Western Sahara, Morocco)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Vulpes zerda (Zimmermann, 1780)"
 ]
}

 The dataset includes 312 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000039-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9hfdqn
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Zeus nebulosus Temminck & Schlegel, 1845",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000040-250213122211068/datasets/export for details.
DOI: 10.15468/dl.tssndw
title: Occurrence Download

description: A dataset containing 4749 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pachypodium Lindl."
 ]
}

 The dataset includes 4749 records from 88 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000043-250213122211068/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14618502
title: Replication package for: The Price Effects of Cash Versus In-Kind Transfers

description: Jesse M Cunha, Giacomo De Giorgi, Seema Jayachandran, The Price Effects of Cash Versus In-Kind Transfers, The Review of Economic Studies, Volume 86, Issue 1, January 2019, Pages 240–281, https://doi.org/10.1093/restud/rdy018

This replication package contains all of the code and data necessary to replicate our empirical analysis.
DOI: 10.5281/zenodo.14618503
title: Replication package for: The Price Effects of Cash Versus In-Kind Transfers

description: Jesse M Cunha, Giacomo De Giorgi, Seema Jayachandran, The Price Effects of Cash Versus In-Kind Transfers, The Review of Economic Studies, Volume 86, Issue 1, January 2019, Pages 240–281, https://doi.org/10.1093/restud/rdy018

This replication package contains all of the code and data necessary to replicate our empirical analysis.