cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6676034
title: D1.6 release of BioExcel QM/MM Benchmark Suite

description: An update to the previous D1.4 release of the BioExcel QM/MM benchmark suite (see https://doi.org/10.5281/zenodo.3885124), provided as part of deliverable D1.6. This is a snapshot of the repository available at https://github.com/bioexcel/qmmm_benchmark_suite Compared to the previous (D1.4) release, a number of additional benchmarks were included in order to facilitate systematic performance profiling, namely: Versions of the MQAE (solute-solvent), ClC (ion channel), and CBD_PHY (phytochrome) benchmarks that use the hybrid DFT functionals PBE0 and B3LYP to incorporate Hartree-Fock exchange energy (the initial release of the benchmark suite included only the GGA functionals PBE and BLYP). Versions of the MQAE and ClC benchmarks that make use of the Auxiliary Density Matrix Method (ADMM) to markedly reduce the high computational cost of the molecular environment optimized MOLOPT basis set when used in combination with hybrid functionals such as B3LYP and PBE0. Versions of the MQAE and ClC benchmarks that use the EMSL basis set in combination with the B3LYP hybrid functional.<strong> </strong> A version of the ClC-19 benchmark that uses the HFX basis set in combination with the B3LYP hybrid functional<strong>.</strong> A version of the MQAE benchmark in which the linear size of the cell defining the quantum region is increased by a factor 2, i.e. where the volume of the quantum region is enlarged by a factor 8 <br>
DOI: 10.17632/549d9g469w.1
title: HydroAPP

description: HydroAPP is a tool that can improve the 2D hydrodynamic simulations because it allows for robust evaluation of the performance of 2D simulation by comparing against measurements. This calibration process is often complicated and subjective, but HydroAPP simplifies the process and objectively quantifies the simulation quality. The code allows the user to test different simulations and produces graphs and tabular results for posterior analyses.
DOI: 10.17632/549d9g469w.2
title: HydroAPP

description: HydroAPP is a tool that can improve the 2D hydrodynamic simulations because it allows for robust evaluation of the performance of 2D simulation by comparing against measurements. This calibration process is often complicated and subjective, but HydroAPP simplifies the process and objectively quantifies the simulation quality. The code allows the user to test different simulations and produces graphs and tabular results for posterior analyses.
DOI: 10.17632/9gdp3jrr79.1
title: pre- and post-impact flow series

description: pre- and post-impact flow series
DOI: 10.17632/y4mpjdhztp.1
title: Data of TiO2 Nanoparticles Characterization With the addition of surfactant Peg-6000

description: This article contains data on the characterization of TiO2 prepared through TiCl4 precursors. Furthermore, the resulting TiO2 has been modified with the addition of surfactant PEG-6000. The resulting TiO2 can be used as a filler in elastomeric thermoplastic nanocomposites. The manufacture of TiO2 nanoparticles was carried out by the sol-gel method using a magnetic stirrer. Mix 20 ml of TiCl4 with 100 ml of NH4OH and 100 ml of Aquades using a magnetic stirrer. First, TiCl4 was dissolved with distilled water using a magnetic stirrer for 2 hours at a speed of 200 rpm, then NH4OH was added into the solution for 4 hours. The solution was filtered and dried at 60°C for 24 hours and continued with calcination at 900°C for 2 hours. TiO2 is then mortalized and continued mixing with PEG 6000. TiO2 and PEG 6000 and distilled water were weighed 35gr: 7.3 gr: 100 ml, respectively. The ingredients were mixed into a magnetic stirrer for 2 hours at a speed of 400 rpm. Solution filtered and mixed with ethanol, then washed with distilled water and filtered again using filter paper. The filtered TiO2 was dried at 100°C for 2 hours. Furthermore, TiO2 was characterized by Scanning Electron Microscope (SEM), Fourier-transform infrared spectroscopy (FTIR), and X-ray diffraction (XRD).
DOI: 10.17632/ypy5f6d8r9.1
title: Monkeypox: Cutaneous Clues to Clinical Diagnosis

description: Monkeypox: Cutaneous Clues to Clinical Diagnosis
DOI: 10.17632/gbp6d36mtm.1
title: CEmCA

description: Calgary Echinococcus multilocularis Coyote Agent-based model codes and input files in a single zip.
DOI: 10.17632/8nzj9y2rhm.2
title: Measurement of psoriasis affected area with an artificial neural network: Supplementary Material

description: Mendeley Supplementary Figure 1 shows the flow chart of dataset configuration. 
Dataset obtained from 149 patients who visited Seoul St. Mary’s hospital dermatology clinic from 2018 to 2020, mainly consisting of images for each area division used to calculate PASI score (i.e., trunk, upper extremities, lower extremities). Various psoriasis phenotypes (small plaque, large plaque, regressed lesion), non-psoriatic lesion, and artifacts (e.g., accessories, shadows) were included in the dataset. Excluded images (35 images) were facial images or out-of-focus images.
To evenly distribute the patient severities in the training and test sets, the data set was first split into three groups (mild, moderate, severe) by PGA. This PGA-based split was organized as mild (grade 0-1), moderate (grade 2-3), and severe (grade 4). Random sampling was performed in each group in a 4:1 ratio.
To evaluate the PASI area score, inappropriate images for applying the palm method were excluded and 297 images from the test set were used to measure the performance with three dermatologists.
With respect to input image, automated psoriasis detector determines skin area and psoriatic lesion to calculate the percentage of affected area. Ground truth was obtained by manually annotating each lesion margin with agreement between three annotator dermatologists. Skin inference and prediction are the result of determined skin area and psoriatic lesion by automated psoriasis detector, respectively. 

Mendeley Supplementary Figure 2 shows the flowchart of the automated psoriasis detector. Cascade Mask R-CNN with a Swin Transformer small (Swin-S) backbone, the same model used in APD, was used to determine affected skin area with pretrained weights from the COCO dataset. Manual skin color-based thresholding was applied in a few cases with insufficiently unclothed images.

Mendeley Supplementary Figure 3 shows an example of result of automated psoriasis detector implementation
. With respect to input image, APD determines skin area and psoriatic lesion to calculate the percentage of affected area. Ground truth was obtained by manually annotating each lesion margin with agreement between three annotator dermatologists. Skin inference and prediction are the result of determined skin area and psoriatic lesion by APD, respectively. APD, Automated psoriasis detector.
DOI: 10.17632/8nzj9y2rhm.3
title: Measurement of psoriasis affected area with an artificial neural network: Supplementary Material

description: Supplementary Table I shows performance comparison with existing literatures. Regardless of methodology used in articles, it can be seen that APD shows the best performance. The detailed method is presented with a table.

Supplementary Figure 1 shows the flow chart of dataset configuration. Dataset obtained from 149 patients who visited Seoul St. Mary’s hospital dermatology clinic from 2018 to 2020, mainly consisting of images for each area division used to calculate PASI score (i.e., trunk, upper extremities, lower extremities). Various plaque psoriasis phenotypes (small plaque, large plaque, regressed lesion), non-psoriatic lesion, and artifacts (e.g., accessories, shadows) were included in the dataset. Excluded 35 images were facial images or out-of-focus images.
To evenly distribute the patient severities in the training and test sets, the data set was first split into three groups (mild, moderate, severe) by PGA. Random sampling was performed in each group in a 4:1 ratio. To evaluate the PASI area score, inappropriate images for applying the palm method were excluded and 297 images from the test set were used to measure the performance with three dermatologists.
With respect to input image, APD determines skin area and psoriatic lesion to calculate the percentage of affected area. “Ground truth” was obtained by manually annotating each lesion margin with agreement between three annotator dermatologists. “Skin inference” was the result of detected skin area by automated psoriasis detector and “prediction” was the result of detected psoriatic lesion by automated psoriasis detector, respectively. 

Supplementary Figure 2 shows the flowchart of the APD. Cascade Mask R-CNN with a Swin Transformer small (Swin-S) backbone, the same model used in APD, was used to determine affected skin area with pretrained weights from the COCO dataset. To calculate skin area precisely, a patient needs to be fully unclothed. Few cases were insufficiently unclothed, leading imprecise PASI area score and the inaccurate percentages of psoriasis affected area. Therefore, for those cases, additional skin detection method(skin color based thresholding) was applied.

Supplementary Figure 3 shows an example of result of automated psoriasis detector implementation. With respect to input image, APD determines skin area and psoriatic lesion to calculate the percentage of affected area. “APD inference” is the process of determining psoriatic lesion by APD. “Skin area inference” is the process of detecting skin area by APD. “Skin area cleansing” is the process of applying additional skin detection method(skin color based thresholding) due to artifacts, which applied in just a few cases. “Find the lesion ratio” is the calculation of the percentage of psoriasis affected area versus skin area. Ground truth was obtained by manually annotating each lesion margin with agreement between three annotator dermatologists. APD, Automated psoriasis detector.
DOI: 10.17632/8nzj9y2rhm.1
title: Measurement of psoriasis affected area with an artificial neural network: Supplementary Material

description: Mendeley Supplementary Figure 1 shows the flow chart of dataset configuration. 
Dataset obtained from 149 patients who visited Seoul St. Mary’s hospital dermatology clinic from 2018 to 2020, mainly consisting of images for each area division used to calculate PASI score (i.e., trunk, upper extremities, lower extremities). Various psoriasis phenotypes (small plaque, large plaque, regressed lesion), non-psoriatic lesion, and artifacts (e.g., accessories, shadows) were included in the dataset. Excluded images (35 images) were facial images or out-of-focus images.
To evenly distribute the patient severities in the training and test sets, the data set was first split into three groups (mild, moderate, severe) by PGA. This PGA-based split was organized as mild (grade 0-1), moderate (grade 2-3), and severe (grade 4). Random sampling was performed in each group in a 4:1 ratio.
To evaluate the PASI area score, inappropriate images for applying the palm method were excluded and 297 images from the test set were used to measure the performance with three dermatologists.
With respect to input image, automated psoriasis detector determines skin area and psoriatic lesion to calculate the percentage of affected area. Ground truth was obtained by manually annotating each lesion margin with agreement between three annotator dermatologists. Skin inference and prediction are the result of determined skin area and psoriatic lesion by automated psoriasis detector, respectively. 

Mendeley Supplementary Figure 2 shows the flowchart of the automated psoriasis detector. Cascade Mask R-CNN with a Swin Transformer small (Swin-S) backbone, the same model used in APD, was used to determine affected skin area with pretrained weights from the COCO dataset. Manual skin color-based thresholding was applied in a few cases with insufficiently unclothed images.
DOI: 10.17632/3zjh5jbsgr.1
title: roi samples selected

description: The three tables are ROIs collected data for Sentinel-2A, Landsat8-OLI, and ZYI-02D, respectively，and more data used to support the findings of this study are available from the corresponding author upon request
DOI: 10.5281/zenodo.6506825
title: TiGGER2022_data

description: Data used for Angewandte 2022 publication
DOI: 10.5281/zenodo.6506826
title: TiGGERwinter2022_data

description: Data used for Angewandte 2022 publication
DOI: 10.5281/zenodo.7036004
title: TiGGER2022_data

description: Data used for Angewandte 2022 publication
DOI: 10.17632/xy3zzmbxf5.1
title: Research Into Potential Therapies Against COVID-19, With Focus On Ivermectin

description: Purpose: Ivermectin is a broad-spectrum antiparasitic and an effective drug to treat COVID-19. In this article, we looked at the effects of ivermectin on coronavirus and its patients in three ways. We have discussed and organized other previously discovered potential therapies and reviewed them in Table 2 and in the last section. 
Methods: We searched for articles on MedRxiv, PubMed, Google Scholar, MEDLINE, EMBASE uses the appropriate search terms. ClinicalTrials.gov was searched for available clinical trials evaluating the effectiveness of ivermectin. We also use EU clinical trial registry data and ANZ registry data for clinical trials. Also, we performed our methods in 4 stages: Identifying studies, Selection of Studies, Collating Studies, Reporting results.
Results: Results are variable. Some studies have shown the effectiveness of ivermectin, others have not. Furthermore, some studies show that a combination of ivermectin with other drugs is useful. 
Conclusion: Overall, we believe the reason ivermectin is useful is that it goes back to its origin, which is soil. Our theory and hypothesis is that if the coronavirus, created by man or by nature, can generally be treated with nature, that is, the soil. The interesting thing is that today we know that ivermectin is effective in the fight against the coronavirus. In fact, other drugs like teicoplanin, cyclosporine and rapamycin that are effective against the coronavirus have come from the soil. We hope that this article has been able to take a step in finding a corona drug, InshaAllah.
DOI: 10.17632/mcfzjhftrt.3
title: Research Into Potential Therapies Against COVID-19, With Focus On Ivermectin

description: This data that submitted to your system contains majority of drugs and therapies that till now accepted for administration during COVID-19 outbreak. All of them analyzed and evaluated through studies and researches that published in Journals. We searched for articles on MedRxiv, PubMed, Google Scholar, MEDLINE, EMBASE using the appropriate search terms. Available clinical trials evaluating the effectiveness of Ivermectin were searched for on ClinicalTrials.gov. Also, we use the EU Clinical Trials Register and ANZ clinical trials registry data too.
DOI: 10.17632/jpcjgkbpxf.1
title: Factors influencing schizotypal personality trait-dependent immersion and digital media usage: adaptation and maladaptation

description: ABSTRACT
Immersion in the digital environment has been widely researched; however, the effects of adaptive and maladaptive personality traits on immersion have received relatively little attention up till now. This study investigates the factors of personal immersion while using entertainment and digital communication applications and other variables such as problematic internet usage, and Facebook addiction. The Immersive Tendency Questionnaire was applied to measure participants’ tendency to experience artistic and life-like scenarios in traditional settings (reading a book and watching a movie) and digital environments (playing computer games and using the internet). The study was conducted with 717 college students and graduate persons including, 186 males (mean age: 28.49) and 531 females (mean age: 28.4). The results show that lowered focusing abilities are directly linked with deficiencies in self-coherence, and maladaptive behaviors that manifest in problematic internet and Facebook usage. Furthermore, the attention/focusing ability during immersion is accompanied by coherent self-structure and psychological well-being. Therefore, for people who have adequate focusing skills and coherent self-structure, the usage of social media and computer gaming can be considered adequate digital tools for developing their cognitive and social skills.
DOI: 10.17632/hx9tmcjtxx.1
title: Axial Symmetry Tests of Milky Way Disk Stars Probe the Galaxy’s Matter Distribution  (Austin Hinkel, University of Kentucky Dissertation)

description: A repository for the data and code used in my thesis at the University of Kentucky (2021).  The data file itself is a subset of Gaia data (data release 2, or "DR2"),  obtained from the Gaia Space Telescope, which can be queried via the freely available Gaia archive.  The code is written in C++, Python, C, and root.  Documentation can be found in "README" files, within the code itself, and in this repository's text.
DOI: 10.17632/hx9tmcjtxx.2
title: Axial Symmetry Tests of Milky Way Disk Stars Probe the Galaxy’s Matter Distribution  (Austin Hinkel, University of Kentucky Dissertation)

description: A repository for the data and code used in my thesis at the University of Kentucky (2021).  The data file itself is a subset of Gaia data (data release 2, or "DR2"),  obtained from the Gaia Space Telescope, which can be queried via the freely available Gaia archive.  The code is written in C++, Python, C, and root.  Documentation can be found in "README" files, within the code itself, and in this repository's text.
DOI: 10.17632/mwyj4m963h.1
title: Data for "Phylogenomics reveals the evolution, biogeography, and diversification of voles in the Hengduan Mountains"

description: The Hengduan Mountains (HDM) of Southwest China are a biodiversity hotspot whose temperate flora and fauna are among the world's richest. However, the origin and evolution of biodiversity in the HDM region remain poorly understood, especially in mammals. Given that the HDM region shows the highest richness of vole species in the world, we used whole-exome capture sequencing data from the most comprehensive sampling of HDM voles performed to date to investigate their evolutionary history and diversification patterns. We reconstructed a robust species phylogeny and re-estimated the divergence times of the HDM voles. We found that all HDM vole species could be divided into a western lineage (Volemys, Proedromys, and Neodon) and an eastern lineage (Caryomys and Eothenomys), and the two lineages originated from two migration events from North Eurasia to the HDM approximately 9 million years ago (Mya). Both vole lineages underwent a significant acceleration of net diversification from 8-5 Mya, which was temporally congruent with the orogeny of the HDM region. We also identified strong intertribal gene flow among the HDM voles and hypothesized that frequent gene flow might have facilitated the speciation burst of the HDM voles. Our study highlights the importance of both environmental and biotic factors in shaping the biodiversity of mammals in mountain ecosystems.
DOI: 10.17632/mwyj4m963h.2
title: Data for "Phylogenomics reveals the evolution, biogeography, and diversification of voles in the Hengduan Mountains"

description: The Hengduan Mountains (HDM) of Southwest China are a biodiversity hotspot whose temperate flora and fauna are among the world's richest. However, the origin and evolution of biodiversity in the HDM region remain poorly understood, especially in mammals. Given that the HDM region shows the highest richness of vole species in the world, we used whole-exome capture sequencing data from the most comprehensive sampling of HDM voles performed to date to investigate their evolutionary history and diversification patterns. We reconstructed a robust species phylogeny and re-estimated the divergence times of the HDM voles. We found that all HDM vole species could be divided into a western lineage (Volemys, Proedromys, and Neodon) and an eastern lineage (Caryomys and Eothenomys), and the two lineages originated from two migration events from North Eurasia to the HDM approximately 9 million years ago (Mya). Both vole lineages underwent a significant acceleration of net diversification from 8-5 Mya, which was temporally congruent with the orogeny of the HDM region. We also identified strong intertribal gene flow among the HDM voles and hypothesized that frequent gene flow might have facilitated the speciation burst of the HDM voles. Our study highlights the importance of both environmental and biotic factors in shaping the biodiversity of mammals in mountain ecosystems.
DOI: 10.17632/d5n5tdwr7c.1
title: SNPs of BCC

description: SNPs of BCC. SNPs: single nucleotide polymorphisms. BCC: Basal cell carcinoma
DOI: 10.17632/5wfvwsb3x3.1
title: Evaluation and comparison of traditional plaster and fiber-glass casts with 3D printed PLA and PLA-CaCO3 composite splints for bone fracture management

description: Dataset for the publication entitled "Evaluation and comparison of traditional plaster and fiber-glass casts with 3D printed PLA and PLA-CaCO3 composite splints for bone fracture management".
If cited, please, cite the publication as well.
DOI: 10.17632/5wfvwsb3x3.2
title: Evaluation and comparison of traditional plaster and fiber-glass casts with 3D printed PLA and PLA-CaCO3 composite splints for bone fracture management

description: Dataset for the publication entitled "Evaluation and comparison of traditional plaster and fiber-glass casts with 3D printed PLA and PLA-CaCO3 composite splints for bone fracture management".
If cited, please, cite the publication as well.
DOI: 10.17632/jpbz8x6wv2.1
title: DataAvailability_M&D_FGL

description: This data supplements the Publication titled 'Predictions of the elastic-plastic compressive response of functionally graded polymeric composite lattices manufactured by 3D printing' by
János Plocher, Vito L Tagarielli and Ajit Panesar first submitted to the Materials and Design Journal in January 2022.
DOI: 10.17632/jpbz8x6wv2.2
title: DataAvailability_FGL

description: This data supplements the Publication titled 'Predictions of the elastic-plastic compressive response of functionally graded polymeric composite lattices manufactured by 3D printing' by
János Plocher, Vito L Tagarielli and Ajit Panesar first submitted to the Virtual and Physical Prototyping Journal in January 2022.
DOI: 10.17632/jpbz8x6wv2.3
title: DataAvailability_FGL

description: This data supplements the Publication titled 'Predictions of the elastic-plastic compressive response of functionally graded polymeric composite lattices manufactured by 3D printing' by
János Plocher, Vito L Tagarielli and Ajit Panesar accepted for publication by the J. Eng. Mater. Technol. in August 2022.
DOI: 10.17632/77vh7y384g.1
title: Date for General-Purpose and Domain-Specific Comparison study

description: This data is used for ISAC: Comparative Study of Influences of General-Purpose and Domain-Specific Sentiment Analysis Classifiers on Feature Selections of Bitcoin Determinant factors
DOI: 10.17632/9tc5nfymvr.1
title: LINF_320005100

description: protein of unknown function - conserved
Leishmania infantum (strain JPCM5)
DOI: 10.17632/3yhg3bsgwf.1
title: LINF_320005000

description: Succinate dehydrogenase subunit 9 | SDH9
Leishmania infantum (strain JPCM5)
DOI: 10.17632/tk4yckd2j3.1
title: LINF_310041000

description: side chain galactosyltransferase | SCG5
Leishmania infantum (strain JPCM5)
DOI: 10.17632/wgxv5g22dz.1
title: Primary Research Data Management of Trees and Palms in Chakras

description: Primary research data gathered on the management of trees and palms in chakras by the Kichwa people of Napo. Data was gathererd during fieldwork in Napo, Ecuadorian Amazon in 2019/2020.
DOI: 10.17632/wnvbty8y83.3
title: Dataset for Non-isotropic contraction and expansion of samples in diamond anvil cells: Implications for thermal conductivity at the core-mantle boundary

description: The dataset contains thickness (diamond-to-diamond) distances measured at the center of the diamond anvil cell cavity filled with MgO, KCl, NaCl, Al2O3, aSiO2 (fused silica), and argon upon compression and decompression.