cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/kxdhhypsbc
title: Binding affinities of natural products derived from structure-based virtual screening towards cancer-associated drug-resistant kinase mutants

description: The dataset consists of two excel files. NaturalProducts_properties file has the list of 5,401 natural products (438 acetogenins, 813 alkaloids, 2295 flavonoids, 269 saponins, 562 terpenoids, 388 withanolides and 636 xanthones) along with their compound IDs, synonyms, molecular weights, molecular formulae and SMILES. NaturalProducts_BEs_PyRx file has the binding energies (kcal/mol) for wild type and mutant ABL (E255K & T315I), PDGFRalpha (T674I & D842V), cKIT (V559D & D816V), FLT3 (N676K & F691I), EGFR (L858R & T790M) and ERBB2 (L755S & T798M) kinases derived from the structure-based virtual screening carried out by the PyRx software. The data is useful for researchers to identify potential drug-lead molecules for further experimental verification of binding energy data in a mutant-selective and kinase-specific way. Further, multi-kinase inhibitors of potential application in specific cancers can also be identified.
DOI: 10.17632/wp2g36392m
title: Traffic_data

description: Based on the “Baidu Map Traffic Travel Big Data Platform”, this study calls API to obtain real-time and accurate urban road traffic data, and uses Python to analyze and process these data, which covers multiple characteristics of time series data, such as peak time period, congestion status and average speed. Cities that obtain data include Hangzhou and other cities, and the collected data set contains a total of tens of thousands of data.
It includes the original data before model prediction, the forecast data after model processing and the performance evaluation data of each model.
DOI: 10.6084/m9.figshare.22647076.v1
title: ISW3.0 - Women's experiences working in sport and exercise science academia

description: This is survey data from a mixed methods study exploring women's experiences working in sport and exercise science academia, and is part of the Invisible Sportswomen research collection. This dataset contains the quantitative portion of the survey, where qualitative data has been removed to protect participant anonymity.
DOI: 10.6084/m9.figshare.6275243.v1
title: Supplementary Material for: Outcomes of Single-Operator Cholangioscopy-Guided Lithotripsy in Patients with Difficult Biliary and Pancreatic Stones

description: <b><i>Background and Aims:</i></b> Endoscopic retrograde cholangiopancreatography is the preferred strategy for the management of biliary and pancreatic duct stones. However, difficult stones occur, and electrohydraulic (EHL) and laser lithotripsy (LL) have emerged as treatment modalities for ductal clearance. Recently, single-operator cholangioscopy was introduced, permitting the routine use of these techniques. We aimed to evaluate the clinical effectiveness of cholangioscopy-guided lithotripsy using LL or EHL in patients with difficult biliary or pancreatic stones. <b><i>Methods:</i></b> This is a prospective clinical study – conducted at two affiliated university hospitals – of 17 consecutive patients with difficult biliary and pancreatic stones who underwent single-operator cholangioscopy-guided lithotripsy using two techniques: holmium laser lithotripsy (HL) or bipolar EHL. We analyzed complete ductal clearance as well as the impact of the location and number of stones on clinical success and evaluated the efficacy of the two techniques used for cholangioscopy-guided lithotripsy and procedural complications. <b><i>Results:</i></b> Twelve patients (70.6%) had stones in the common bile duct/common hepatic duct, 2 patients (17.6%) had a stone in the cystic stump, and 3 patients (17.6%) had stones in the pancreas. Sixteen patients (94.1%) were successfully managed in 1 session, and 1 patient (5.9%) achieved ductal clearance after 3 sessions including EHL, LL, and mechanical lithotripsy. Eleven patients were successfully submitted to HL in 1 session using a single laser fiber. Six patients were treated with EHL: 4 patients achieved ductal clearance in 1 session with a single fiber, 1 patient obtained successful fragmentation in 1 session using two fibers, and 1 patient did not achieve ductal clearance after using two fibers and was successfully treated with a single laser fiber in a subsequent session. Complications were mild and were encountered in 6/17 patients (35.2%), including fever (<i>n</i> = 3), pain (<i>n</i> = 1), and mild pancreatitis (<i>n</i> = 1). <b><i>Conclusions:</i></b> Cholangioscopy-guided lithotripsy using LL or EHL in patients with difficult biliary or pancreatic stones is highly effective with transient and minimal complications. There is a clear need to further compare EHL and HL in order to assess their role in the success of cholangioscopy-guided lithotripsy.
DOI: 10.17632/83ddtt4prk
title: Decoupling reaction rate and diffusion limitation to fast-charging electrodes by extended modeling of cyclic voltammetry data

description: All data shown in "Decoupling reaction rate and diffusion limitation to fast-charging electrodes by extended modeling of cyclic voltammetry data".
DOI: 10.17632/ck824h3xrc
title: Complete Sankey diagram

description: Sankey diagram showing the clustering of all ninety-two combinations

On the left x axis, the first author of the included study is depicted. Each curved line represents a study. The width of the curves is proportional to the number of patients with NVO and its synonyms included, reaching the middle x axis (year of publication). From years of publication axis, until the right x axis (showing the possible combinations of diagnostic criteria), curves are not anymore proportional to the number of patients, to improve readability.

Diagnostic criteria combination data legend: 
1- Clinical features (symptoms, signs, patient history)
2- Inflammatory biomarkers (CRP; ESR; WBC)
3- MRI (with or without contrast medium)
4- Other imaging techniques (plain films, CT scan, PET/CT, scintigraphy or other nuclear medicine technique)
5- Microbiological evidence from blood cultures
6- Microbiological evidence from spinal cultures
7- Histopathology
8- Clinical improvement after antimicrobial treatment
DOI: 10.6084/m9.figshare.4224258.v1
title: ESD-Fold.zip

description: File index.php is the first file that the server loads from the folder ESD-Fold. The executable file of the ESD-Fold program is available in Site.exe, and its source code is in file ESD-FOLD-Source.zip.File RNAsequences.zip includes 2 datasets called 15RNAsWithSHAPE and RNA_STRAND_data used in our program. 15RNAsWithSHAPE contains 15 RNA sequences with their available SHAPE data, while RNA_STRAND_data contains 8 families of RNA-Strand dataset, in which SHAPE data is not available.
DOI: 10.6084/m9.figshare.7993118.v2
title: MCDCALC ChEMBL Colon cancer bioactivity.xlsb

description: PTML model of ChEMBL dataset anti colon cancer compounds
DOI: 10.17632/tf9dtfz9m6
title: chilli dataset

description: Chilli dataset for detection and classification
DOI: 10.17632/c3kng92tmf
title: Modelling partial melting in sinking Archaean greenstone belts with implications for TTG formation

description: This is the datasets of the manuscript of "Modelling partial melting in sinking Archaean greenstone belts with implications for TTG formation"
DOI: 10.17632/xztwjmktrg
title: COVID-19 Chest X-ray Images 

description: 368 Chest X-ray Images taken from confirmed COVID-19 subjects, which were admitted to hospital due to COVID-19 respiratory complications.
DOI: 10.6084/m9.figshare.12726821.v1
title: Supplementary Material for: Tumor Lysis Syndrome after Combination Therapy of Nivolumab and Sorafenib in a Woman with Advanced Hepatocellular Carcinoma

description: Tumor lysis syndrome (TLS) is a life-threatening emergency that usually develops in rapidly proliferating hematologic malignancies or advanced solid tumor following cytotoxic chemotherapy or therapeutic interventions. TLS is especially rare in patients with hepatocellular carcinoma (HCC). Therefore, we present a case of a female patient with newly diagnosed advanced HCC who developed TLS and hepatic failure after receiving combination therapy of nivolumab and sorafenib. To our knowledge, this is the first case of TLS in a patient with advanced HCC owing to combination therapy of nivolumab and sorafenib. We also reviewed the literature and summarized the characteristics of TLS in patients with advanced HCC receiving various therapeutic interventions. The overall mortality rate was 63% and regarding the management, transarterial chemoembolization (TACE) was the most common etiology. TACE-related TLS developed more rapidly than sorafenib-related TLS. Furthermore, the efficacy and safety of combination therapy of nivolumab and sorafenib should be further evaluated, and TLS should still be a concern, especially in patients with large tumor burden.
DOI: 10.6084/m9.figshare.14129006.v1
title: CNS

description: pan-And-CNS
DOI: 10.6084/m9.figshare.19778674.v1
title: Data from: Estimates of niche position and breadth vary across spatial scales for native and alien inland fishes

description: Estimates of species’ niche position and breadth is considered fundamental to understanding their ecological and evolutionary responses to natural and anthropogenic environmental change. Methodological challenges arise from the fact that macroecological inference is substantially affected by the selection of a certain geographical extent. This is particularly relevant for understanding alien species introduction success and associated species’ niche characteristics which can be estimated either from their invaded region, their native region, or both. However, surprisingly little is known regarding how the estimation of species niche breadth and position is affected by the geographical extent of investigation, especially for alien species. Here we estimate and compare climatic niche metrics of native and alien Iberian inland fishes using the outlying mean index (OMI) at three different geographical extents spanning from regional to global. Furthermore, we investigate how the introduction date of alien species affects niche characterisation. Our results show that niche metrics differed depending on the geographical extent of the investigation, as well as with respect to species nativity (native vs. alien). Differences in climatic niche position between native and alien species observed at a global scale vanished at a regional scale. The niche breadth of widely distributed alien species was highly underestimated when only considering the invaded region, and further mediated by species’ introduction date into the invaded area. In conclusion, estimating niches of freshwater species, especially of alien invaders should carefully consider the geographical extent of the investigation. We suggest that analyses that jointly consider regional and global scales will improve the estimation of niche characteristics of widely distributed organisms, particularly regarding the climatic niche, and the assessment of the invasive potential of species.
DOI: 10.6084/m9.figshare.20079200.v3
title: Transgression map

description: Data and code for Figure 3 of Earth Commission synthesis paper
DOI: 10.6084/m9.figshare.28279964.v2
title: THUCNews Chinese News Text Classification Dataset

description: THUCTC (THU Chinese Text Classification) is a Chinese text classification toolkit developed by the Natural Language Processing Laboratory of Tsinghua University. It can efficiently automate the training, evaluation, and classification of user-defined text classification corpora. Text classification typically involves three steps: feature selection, feature dimensionality reduction, and model training. Selecting appropriate text features and performing dimensionality reduction are challenging problems in Chinese text classification. Based on years of research experience in Chinese text classification, our team has chosen bigram (two-character strings) as the feature unit in THUCTC, with Chi-square as the dimensionality reduction method, tf-idf as the weight calculation method, and LibSVM or LibLinear as the classification model. THUCTC demonstrates good versatility for open-domain long texts, is independent of the performance of any Chinese word segmentation tool, and offers the advantages of high accuracy and fast testing speed.
DOI: 10.6084/m9.figshare.6098972.v1
title: freebayes.ALL.VAR.Q40.DP4_30_max_miss_5.recode.edit.annotated.names.SNPs.AA.common.vcf.gz

description: Common SNPs in corkwing wrasses (n=65) from Northern Europe with ancestral state
DOI: 10.17632/4k67zvw67g
title: High-Resolution 1H NMR of Powdered Solids by Homonuclear Dipolar Decoupling - Supplementary Material

description: This folder contains the supplementary material of: Paruzzo, F.M and Emsley, L., High-Resolution 1H NMR of Powdered Solids by Homonuclear Dipolar Decoupling, J. Magn. Res. 2019. (https://doi.org/10.1016/j.jmr.2019.106598) This paper focuses on the comparison of experimental performance of homonuclear dipolar decoupling schemes, and it provides guidelines for the optimization of such experiments. This folders contains all the raw data of the experiments shown in the manuscript, as well as all the Bruker "au" and pulse programs necessary for the implementation of such experiments.
DOI: 10.17632/vf5khf739w
title: Comparison of interoceptive awareness, state mindfulness for physical activity, and sports success between elite speed skating athletes and college athletes

description: The data includes standardized psychological questionnaires: (1) State Mindfulness Scale for Physical Activity (SMSPA), (2) Sports Success Scale (SSS), and (3) Multidimensional Assessment of Interoceptive Awareness, Version 2 (MAIA-2), performed in the sample of 157 athletes from Poland: 54 elite athletes in speed skating (EASS) and 102 university students of physical education (USPA).
DOI: 10.6084/m9.figshare.12017976.v2
title: Morphology of magnetofossils.docx

description: Morphology of extracted magnetofossils from seven representative samples in core MD01-2444.
DOI: 10.6084/m9.figshare.28082252.v1
title: MHIT36: A GPU-tailored code for phase-field simulations of homogenous isotropic turbulence

description: Validation data reported in the paper "MHIT36: A GPU-tailored code for phase-field simulations of homogenous isotropic turbulence"XXX identifies a certain grid (e.g., 256, 512, etc.)XXX_leonardo.dat -&gt; Strong scaling results using grid XXX^3 on LeonardoXXX_Marenostrum5.dat -&gt; Strong scaling results using grid XXX^3 on MN5-ACC.XXX_sbs.txt -&gt; Comulative scale by scale budget (obtained from MHIT36)XXX_spectrum -&gt; Spectra of kinetic energy (obtained from MHIT36)
DOI: 10.6084/m9.figshare.29162756.v1
title: CHARLS.csv

description: This dataset is the original data downloaded from the official website.
DOI: 10.17632/8zhn66k5xj
title: A Deep Learning Driven Active Framework for Segmentation of Large 3D Shape Collections

description: We release the code and data (annotations, remeshed obj) for our paper "A Deep Learning Driven Active Framework for Segmentation of Large 3D Shape Collections".
DOI: 10.17632/skrx2fz79n
title: Integrating single-cell and spatial transcriptomics to elucidate the cross-talk of SPP1+ macrophage and cancer associated fibroblast in HCC with immune excluded microenvironment

description: we comprehensively analyzed 38,439 cells from six HCC tumor tissues and 45,354 cells from matched adjacent normal tissues to reveal the cellular composition of HCC at single cell resolution. Importantly, we found SPP1+ macrophage in TME was indicative of poor patient survival. Then, we performed ST analysis, importantly we found SPP1+ macrophage colocalized with CAF and wrapped around the edge of tumor. Then we explore the possible interaction between SPP1+ macrophage and malignant hepatocytes and found malignant cells could alter the function of SPP1+ macrophage through hypoxia. We further evaluate the infiltration of SPP1+ macrophage and CAF in several independent HCC cohorts with bulk transcriptomics using our scRNA-seq as reference transcriptomics matrix and revealed a close correlation of the infiltration between these two cell subtypes. In addition, the colocalization of SPP1+ macrophage and CAF could limit the infiltration of immune cells in tumor core through promoting the extracellular matrix expression and stimulating the formation of the desmoplastic region.
DOI: 10.6084/m9.figshare.12279404.v1
title: Reduced global fire activity due to human demography slows global warming by enhanced land carbon uptake

description: <b>Data availability for the paper:</b>Wu C, Sitch S, Huntingford C, Mercado LM, Venevsky S, Lasslop G, Archibald S, Staver AC (2022) Reduced global fire activity due to human demography slows global warming by enhanced land carbon uptake.If you have more questions, please contact Chao Wu (chaowu[dot]thu[at]gmail[dot]com)<b>Summary of this dataset</b>DATA: All raw data used to generate the figures and tables in the main text and SI Appendix.This DATA includes the results from the 34 ESMs, 1 offline, and 3 factorial simulations.Each ESM includes the results from the 3 experiments (“standard” [rcp_*], “constant fire” [pi_rcp_*], and “without fire” [nf_rcp_*]) × 4 RCP scenarios (RCP2.6, 4.5, 6.0, and 8.5).For the model CESM1_BGC, the results from additional 3 experiments × 4 RCP scenarios × 9 SSP combinations are provided.For each scenario, there are two global results "SEVERGlobe.out" and “CO2.dat”, and one grid-based result for annual NBP ("anep.dat"; 34 ESMs; for coupling needs in the model, values in "anep.dat" multiplied by -1 will be the real NBP), or annual burned area ("aburntarea.dat"; offline) and fire carbon emissions ("afire.dat"; offline).Each column in "SEVERGlobe.out" represents the “Year”, global annual “nbp”, “npp”, “gpp”, “ra”, “rh”, “biomass”, “soil carbon”, “total carbon”, “fire carbon emissions”, “burned area”, and “temperature over land” in the 34 ESMs simulations. Global annual “fire carbon emissions” and “burned area” are provided in the offline simulation.Each column in “CO2.dat” represents “year” and annual atmospheric “co2” concentration.Factorial analysis results for global annual “fire carbon emissions” based on 3 ESMs are shown in “test_driver_*”, each of that includes 6 scenarios: fixed temperature (“rcp6_tem”), precipitation (“rcp6_pre”), wind speed (“rcp6_wind”), population density (“rcp6_pop”), ratio of rural population to total population (“rcp6_rur”), and distance to cities (“rcp6_dis”).ESM runs from 1860 to 2100; offline runs from 1950-2016.Satellite-based GFED4s, GFED4 datasets were accessed from http://www.globalfiredata.org/index.html; FireCCI50 dataset was accessed from https://www.esa-fire-cci.org/node/4. FEER1 dataset was accessed from https://feer.gsfc.nasa.gov/data/emissions/. European Space Agency's Land Cover Climate Change Initiative dataset was accessed from https://www.esa-landcover-cci.org/. The ILAMB was accessed from https://www.ilamb.org/.The python code to interpret data and prepare the figures are available on request from the corresponding author.
DOI: 10.6084/m9.figshare.25185011.v1
title: Raw data measurements .xlsx

description: 90 healthy participants (18-40 years old) who were randomly allocated to three groups: slider (n=30), tensioner (n=30), or control (n=30).
DOI: 10.6084/m9.figshare.28738781.v1
title: <i>R. hybrida</i> 'Samantha' genome (v2)

description: <i>R. hybrida</i> 'Samantha' genome (v2)
DOI: 10.17632/nnytj2v3n5
title: Medicinal Leaf Dataset

description: Mother earth is enriched and nourished with a variety of plants. These plants are useful in many ways such as drug formulation, production of herbal products, and medicines to cure many common ailments and diseases. For the past 5000 years, Ayurveda, a traditional Indian medicinal system is widely accepted even today. India is a rich country for being the habitat for a variety of medicinal plants. Many parts of the plants such as leaves, bark, root, seeds, fruits, and many more are used as a vital ingredient for the production of herbal medicines. Herbal medicines are preferred in both developing and developed countries as an alternative to synthetic drugs mainly because of no side effects. Recognition of these plants by human sight will be tedious, time-consuming, and inaccurate. Applications of image processing and computer vision techniques for the identification of the medicinal plants are very crucial as many of them are under extinction as per the IUCN records. Hence, the digitization of useful medicinal plants is crucial for the conservation of biodiversity. Studies reveal that to build an intelligent system for recognition of medicinal herbs requires a decent size of plant leaf dataset. The dataset comprises of thirty species of healthy medicinal herbs such as Santalum album (Sandalwood), Muntingia calabura (Jamaica cherry), Plectranthus amboinicus / Coleus amboinicus (Indian Mint, Mexican mint), Brassica juncea (Oriental mustard), and many more. The dataset consists of 1500 images of forty species. Each species consist of 60 to 100 high-quality images. The folders are named as per the species botanical/scientific name. The leaves plucked are from different plants of the same species available in local gardens. It is keenly ensured not to pluck many leaves to build the dataset as it goes to waste after capturing a picture of it. Healthy and mature leaves are selected for the dataset. The instruments used are a Mobile camera (Model: Samsung s9+) and printer (Model: Canon Inkjet Printer). The images of the leaf in the dataset are slightly rotated and tilted to take its utmost advantage in training any machine learning and deep learning models. The contribution of the medicinal plant leaf dataset to develop Artificial Intelligence models (machine learning and deep learning) will assist many researchers and computer scientists to detect, identify the species and its diseases and learn more about the herb existence and medicinal properties. By releasing this dataset to the community, we look forward to stimulate research in medicinal plants where the current lack of public datasets is one of the main barriers for progress.
DOI: 10.6084/m9.figshare.17126675.v1
title: Annual maps of C4 and C3 herbaceous crops and non-crop grasses in the contiguous U.S.

description: We constructed C<sub>4</sub> and C<sub>3</sub> herbaceous crops and non-crop grasses across the contiguous U.S. from 2000 to 2019. The zip file includes four sub-files and one map of grid cell area. Four sub-files are C<sub>3</sub> crop layers, C<sub>4</sub> crop layers, C<sub>3</sub> non-crop grass layers, and C<sub>4</sub> non-crop grass layers. In the later two files, MMT and MMAXT represent the two different crossover temperature models that were used to predict the spatial distribution of C<sub>4</sub> or C<sub>3</sub> non-crop grasses. In the zip file, all data layers are in TIF format. The unit for all is km<sup>2</sup> grid<sup>-1</sup>.
DOI: 10.6084/m9.figshare.22317679.v1
title: Data and code

description: Data and code utilised in the project.
DOI: 10.6084/m9.figshare.3895752.v4
title: Transcriptome - Abeoforma whisleri

description: - Assembly in-home BGI to obtain Unigene (contigs)- ORF prediction using TransDecoder (Trinity plugin) and PfamScan to obtain coding sequences (CDS files) from transcripts (mRNA)- Protein translations are included (pep)<br>- clean.fasta: Assembly cleaned from cross-contamination of other species multiplexed (Corallochytrium limacisporum India, Ichthyophonus hoferi and Sphaerothecum destruens) after applying CroCo V0.1.1 (Simion et al. in prep).<br><strong>Guifré Torruella, Alex de Mendoza, Xavier Grau-Bové, Meritxell Antó, </strong>Mark A. Chaplin<strong>, Javier del Campo, </strong>Laura Eme, Gregorio Pérez-Cordón, Christopher M. Whipps, Krista M. Nichols, Richard Paley, Andrew J. Roger, Ariadna Sitjà-Bobadilla, Stuart Donachie,<strong> and Iñaki Ruiz-Trillo. </strong>(2015) <em>Phylogenomics reveals convergent evolution of lifestyles in close relatives of animals and fungi.</em> <strong><em>Current Biology </em></strong>25(18):2404-10.<br>www.multicellgenome.com