cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2dzv2b
title: CCDC 2234172: Experimental Crystal Structure Determination

description: Related Article: Chaowei Yin, Hanwei Lu, Hebo Ye, Zelin Feng, Hanxun Zou, Meilan Zhang, Lei You|2023|Org.Lett.|25|1470|doi:10.1021/acs.orglett.3c00205
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.cc2dzv3c
title: CCDC 2234173: Experimental Crystal Structure Determination

description: Related Article: Chaowei Yin, Hanwei Lu, Hebo Ye, Zelin Feng, Hanxun Zou, Meilan Zhang, Lei You|2023|Org.Lett.|25|1470|doi:10.1021/acs.orglett.3c00205
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: 10.6084/m9.figshare.21424257.v1
title: Assessment of spatial thinking skills and their relation to performance on web mapping services

description: The documents included in this dataset consistis of: <br> a) the dataset of collected participants responses, in the form of a zip archive (spatialskillssurvey.7z). <br> and <br> b) the R script (WebMappingApp_SpatialThinking.R) to run the statistical analysis detailed in the paper, to create figures 1, 4-12 and to generate the contents of tables 1-9.
DOI: 10.6084/m9.figshare.22293394
title: Recorded Shark Attacks in Greece over the Last 180 Years

description: Raw data of shark attacks in Greece.
DOI: 10.6084/m9.figshare.21561891.v6
title: Intestinal microflora and Th1/Th2 Balance in hypothyroidism during the first half of pregnancy

description: Flow cytometry and 16S rRNA in hypothyroidism during the first half of pregnancy
DOI: 10.34943/1ba83dfb-1ac3-4cdb-a107-2607b01747cc
title: Fraser River Delta Upper Slope Junction Box Deployed 2023-03-16

description: The S30015 was deployed on 2023-03-16 at Fraser River Delta Upper Slope. This site is located on the upper slope of the Fraser River delta, where depth is approximately 100 metres. This device is a Junction Box. Junction Boxes supply power and communications to deployed instruments. Junction boxes have a number of serial and ethernet ports, including 400V ethernet ports that enable connections to other junction boxes and high-voltage instruments. Junction boxes can convert high voltages to lower voltages (15V, 24V or 48V) required by many instruments. It was deployed on a fixed platform. Data from this deployment were archived and made available through Ocean Networks Canada's Oceans 3.0 digital infrastructure, with quality assurance and derived data products following established practices.
DOI: 10.5255/ukda-sn-856385
title: Understanding and Assisting Difficulties with Everyday Spatial Navigation, 2018-2022

description: The collection consists of demographic and quantitative data associated with ESRC award ES/P011632/1 (referred to as ExSpaND - Exploring SPAtial Naviational Difference). Typical participants (N=115) and patients with hydrocephalus (N=33) completed a battery of tasks that measured: navigational behaviour in real-world environments; behaviour in laboratory tasks designed to probe underlying components of navigation; and, standardised cognitive assessments. Specific details of individual measures are included in an accompanying Key document. Owing to the impact of the COVID-19 pandemic, some participants were tested in-person, and others remotely.
DOI: 10.34943/bfc9add1-ae89-4d73-9b45-541e929610fa
title: Tsawwassen - Swartz Bay Ferry Route Turbidity, Chlorophyll and Fluorescence Deployed 2023-03-16

description: The WET Labs ECO Triplet BBFL2 786 was deployed on 2023-03-16 on Tsawwassen - Swartz Bay Ferry Route. This ferry route goes between Tsawwassen terminal in Vancouver, BC and the Swartz Bay terminal, Victoria BC. This device is a Turbidity, Chlorophyll and Fluorescence. Turbidity, chlorophyll and fluorescence instruments detect light scattered by particles suspended in water, generating an output voltage proportional to turbidity or suspended solids. Scaling factors are used to convert the voltage readings to values representing chlorophyll concentration and turbidity. It was deployed on a mobile platform. Data from this deployment were archived and made available through Ocean Networks Canada's Oceans 3.0 digital infrastructure, with quality assurance and derived data products following established practices.
DOI: 10.6084/m9.figshare.12849497
title: Implementation of ensemble methods on QSAR Study of NS3 inhibitor activity as anti-dengue agent

description: Dengue fever is a disease transmitted by infected mosquitoes. This disease spreads in several countries, especially those with a tropical climate. To date, there is no specific drug that can be used to treat dengue. Use of clinically investigated drugs, such as Balapiravir, is still not effective in inhibiting the activity of virus replication. The design of a drug candidate can be performed by using the non-structural protein 3 (NS3) as target. This study aimed to develop QSAR models to predict the inhibitory activity class of NS3 inhibitors. The classification was performed by using feature importance analysis for selecting the descriptors and three ensemble methods, i.e. random forest (RF), adaptive boosting (AdaBoost), and extremely randomized trees (ERT), for model design and prediction. Hyperparameter tuning was performed to improve the performance of the models. Based on the results, we found that model 9, developed from ERT produced the best performance with values of accuracy and AUC equal to 0.73 and 0.82, respectively. Use of y-scrambling method allowed us to confirm that the model was not related to the chance correlation.
DOI: 10.6084/m9.figshare.12849497.v1
title: Implementation of ensemble methods on QSAR Study of NS3 inhibitor activity as anti-dengue agent

description: Dengue fever is a disease transmitted by infected mosquitoes. This disease spreads in several countries, especially those with a tropical climate. To date, there is no specific drug that can be used to treat dengue. Use of clinically investigated drugs, such as Balapiravir, is still not effective in inhibiting the activity of virus replication. The design of a drug candidate can be performed by using the non-structural protein 3 (NS3) as target. This study aimed to develop QSAR models to predict the inhibitory activity class of NS3 inhibitors. The classification was performed by using feature importance analysis for selecting the descriptors and three ensemble methods, i.e. random forest (RF), adaptive boosting (AdaBoost), and extremely randomized trees (ERT), for model design and prediction. Hyperparameter tuning was performed to improve the performance of the models. Based on the results, we found that model 9, developed from ERT produced the best performance with values of accuracy and AUC equal to 0.73 and 0.82, respectively. Use of y-scrambling method allowed us to confirm that the model was not related to the chance correlation.
DOI: 10.6084/m9.figshare.12849485
title: 2D QSAR studies on a series of (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one as CETP inhibitors

description: Cardiovascular disease (CVD) is one of the major causes of human death. Preliminary evidence indicates that the inhibition treatment of Cholesteryl Ester Transfer Protein (CETP) causes the most pronounced increase in HDL cholesterol reported so far. Merck has disclosed certain (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]−4-methyl-1,3-oxazolidin-2-one derivatives, which show potent CETP inhibitory activity. Therefore, it would be desirable to develop computational models to facilitate the screening of these inhibitors. In the present work, quantitative structure–activity relationship (QSAR) models have been developed to predict the therapeutic potency of 108 derivatives of (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]−4-methyl-1,3-oxazolidin-2-one: Multiple Linear Regression (MLR), Support Vector Regression (SVR) and Feedforward Neural Network using Particle Swarm Optimization (FNN-PSO). Six descriptors were selected using genetic algorithms, whereas, internal and external validation of the models was performed according to all available validation strategies. It was shown that CETP inhibitory activity is mainly governed by electronegativity, the structure of the molecule, and the electronic properties. The best results were obtained with the SVR model. The results obtained may assist in the design of new CETP inhibitors.
DOI: 10.6084/m9.figshare.12849485.v1
title: 2D QSAR studies on a series of (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one as CETP inhibitors

description: Cardiovascular disease (CVD) is one of the major causes of human death. Preliminary evidence indicates that the inhibition treatment of Cholesteryl Ester Transfer Protein (CETP) causes the most pronounced increase in HDL cholesterol reported so far. Merck has disclosed certain (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]−4-methyl-1,3-oxazolidin-2-one derivatives, which show potent CETP inhibitory activity. Therefore, it would be desirable to develop computational models to facilitate the screening of these inhibitors. In the present work, quantitative structure–activity relationship (QSAR) models have been developed to predict the therapeutic potency of 108 derivatives of (4<i>S</i>,5<i>R</i>)-5-[3,5-bis(trifluoromethyl)phenyl]−4-methyl-1,3-oxazolidin-2-one: Multiple Linear Regression (MLR), Support Vector Regression (SVR) and Feedforward Neural Network using Particle Swarm Optimization (FNN-PSO). Six descriptors were selected using genetic algorithms, whereas, internal and external validation of the models was performed according to all available validation strategies. It was shown that CETP inhibitory activity is mainly governed by electronegativity, the structure of the molecule, and the electronic properties. The best results were obtained with the SVR model. The results obtained may assist in the design of new CETP inhibitors.
DOI: 10.6084/m9.figshare.22293400.v1
title: Cordyceps sandindaengensis

description: <em>Synnemata </em>multiple, unbranched, up to 2–8 mm long and 1–2 mm broad, cream, cylindrical to clavate, arising from the upper part of a <em>Lepidoptera</em> pupa. <em>Fertile part</em> white, 3–5 mm long, white, conidia mass produced near the apex of synnemata. <em>Conidiogenous cells </em>isaria-like. <em>Phialides</em> verticillate, in whorls of 2–5, 5–6(–7) × 2–2.5 μm, with globose to flask-shaped basal portion, distinct neck, 1–2 × 0.5 μm.<em> Conidia</em> in dry chains, white, ovoid to obovoid, aseptate, 1.5–3 × 1–2 μm. <em>Sexual morph </em>unknown.
DOI: 10.5281/zenodo.7743928
title: Weight change

description: Weight change according to the various medium used i.e; artificial saliva, 1% NaCL, 1% Lactic acid and assessed in various hours of intervals.
DOI: 10.5281/zenodo.7743927
title: Weight change

description: Weight change according to the various medium used i.e; artificial saliva, 1% NaCL, 1% Lactic acid and assessed in various hours of intervals.
DOI: 10.5281/zenodo.7744176
title: Microhardness for SDF group after Radiation Therapy

description: The table shows microhardness values of 11 samples of SDF group after Radiation Therapy. Each microhardness value was determined by assessing 5 different sites on the enamel surface and the final SMH was noted. The microhardness for the SDF group ranged from 214.5-309.9 HV.
DOI: 10.5281/zenodo.7744175
title: Microhardness for SDF group after Radiation Therapy

description: The table shows microhardness values of 11 samples of SDF group after Radiation Therapy. Each microhardness value was determined by assessing 5 different sites on the enamel surface and the final SMH was noted. The microhardness for the SDF group ranged from 214.5-309.9 HV.
DOI: 10.5281/zenodo.7744231
title: Comparsion of the space changes in tyohodont molar with magnetic appliance and without magnetic appliance

description: Dental typodonts mimicking primary mandibular first molar and permanent mandibular first molar was used in this study. The dental typodont was stabilized using wax in the right quadrant of the typodont model.
DOI: 10.5281/zenodo.7744230
title: Comparsion of the space changes in tyohodont molar with magnetic appliance and without magnetic appliance

description: Dental typodonts mimicking primary mandibular first molar and permanent mandibular first molar was used in this study. The dental typodont was stabilized using wax in the right quadrant of the typodont model.
DOI: 10.26050/wdcc/pmmxmchfm
title: PalMod2 MPI-M MPI-ESM1-2-CR-CH4 future-methane

description: Project: PalMod2 - From the last interglacial to the anthropocene - modeling a complete glacial cycle. The PalMod project (https://www.palmod.de/) aims for a better understanding of how slow feedbacks in the Earth system operate. Using the new insights into Earth system dynamics, PalMod will also make projections of the future climate over the next few millennia. The project PalMod is in the second phase. Summary: These set of future climate scenario experiments were performed with the Max Planck Institute for Meteorology Earth System Model version 1.2 in coarse resolution (MPI-ESM-CR). The model includes the spectral atmospheric model ECHAM6.3 at T31 horizontal resolution (approx. 3.75°) and 31 vertical levels, the land surface vegetation model JSBACH3.2, and the primitive equation ocean model MPIOM1.6 with a nominal resolution of 3°. The model has been extended with a full methane cycle, including a simplified atmospheric chemistry, as described in Kleinen et al. (2020) and Kleinen et al. (2021). The model was integrated from a preindustrial state to 3050CE following the SSP scenarios SSP1-1.9, SSP1-2.6, SSP2-4.5, SSP3-7.0 and SSP5-8.5 with CO2 and N2O following Meinshausen et al.(2020) until 2500, followed by an extension until 3050CE we obtained using the CLIMBER2 model, as described in Kleinen et al. (2021).
DOI: 10.5255/ukda-sn-856323
title: COVID-19 Frontline Staff in Rapidly Formed COVID-19 Teams in the NHS: Implications for Leadership, Team-working, Career Intentions and Individual Mental Health, 2020-2022

description: A set of interviews with NHS COVID-19 frontline staff to investigate the influence of COVID deployment on non-technical factors for healthcare delivery (leadership, social support & cohesion, communication, shared mental models, co-ordination) and expected moderating factors (occupational background, preparedness, work-life balance and home situation, proximity, workforce allocation models) and the impact on perceived teamwork, performance, individual team member well-being, resilience and team member employment retention intentions for NHS COVID-team members. The interviews with medical staff consisted of demographic questions collecting some special category data (e.g., ethnicity, job title, living arrangements during COVID), a 12-item standardised measure of wellbeing (administered using the GHQ-12, a short form General Health Questionnaire) and an 8 item Work Life Balance Scale (Schwartz et al., 2019; Sexton et al., 2017). These are not included in the interview transcripts. The interview schedule then followed a topic based semi-structured component (informed by themes identified in our previous work (Reid et al., 2018; 2016; Schilling, 2019), the wider literature, and our preliminary conceptual framework across these four main areas: 1) the creation of teams and the experience of teamwork, social support, shared communication patterns, co- ordination and mental models; 2) the role of leaders in establishing teamwork, social support, shared communication patterns, co-ordination and mental models; 3) perceived individual and team performance, well-being, resilience and retention intentions; 4) moderating factors including occupational background, preparedness, home life, work-life balance and any other issues arising during COVID-team membership.
DOI: 10.6084/m9.figshare.22007003
title: The Secret Life of CVEs - code and dataset

description: The Secret Life of CVEs - code and dataset. <br> Code is also available on https://github.com/ncusi/secret_life_of_CVEs <br> Code requires python 3 to run. Results of each script are saved in data directory, files without extension are pandas dataframes saved with parquet. <br> To replicate the results only, without recreating all dataset files use Jupyter notebooks from "notebooks" directory. <br> To recreate data extraction from WoC servers: Run "projects_stats/with_CVS_in_commit_message_ignore_case.sh" on WoC servers Run "cat search.CVE_in_commit_message_ignore_case.lstCmt_9.out |cut -d';' -f1 | ~/lookup/getValues c2P 1 &gt; projects_with_CVE_fix.txt" on WoC servers Run "cve_search_parser.py search.CVE_in_commit_message.lstCmt_9.out projects_with_CVE_fix.txt cve_df_filename" on WoC servers Copy the result cve_df_filename to local machine and replace cve_df_filename in data folder To recreate data processing and filtering on local machine use "dvc repro" in main directory, which will run all scripts according to "dvc.yaml", replacing data folder content when needed.
DOI: 10.6084/m9.figshare.21923418.v1
title: Raw data for "GelMap: Intrinsic calibration and deformation mapping for expansion microscopy"

description: Raw data files for: <br> <strong>­­GelMap: Intrinsic calibration and deformation mapping for expansion microscopy</strong> <br> Hugo G.J. Damstra<sup>#1</sup>, Josiah B. Passmore<sup>#1,2</sup>, Albert K. Serweta<sup>1</sup>, Ioannis Koutlas<sup>3</sup>, Mithila Burute<sup>1</sup>, Frank J. Meye<sup>3</sup>, Anna Akhmanova<sup>1</sup>, Lukas C. Kapitein*<sup>1,2</sup> <br> <sup>1 </sup>Cell Biology, Neurobiology and Biophysics, Department of Biology, Faculty of Science, Utrecht University, Utrecht, The Netherlands. <sup>2 </sup>Centre for Living Technologies, Alliance TU/e, WUR, UU, UMC Utrecht, Princetonlaan 6, 3584 CB Utrecht, The Netherlands. <sup>3 </sup>Department of Translational Neuroscience, Brain Center, UMC Utrecht, Utrecht University, Utrecht, The Netherlands. <br> <sup># </sup>These authors contributed equally *<sup> </sup>Correspondence: l.kapitein@uu.nl
DOI: 10.5281/zenodo.7744252
title: Microhardness of control group teeth after Radiation Therapy

description: The table shows microhardness values of 11 samples of control group after Radiation Therapy. Each microhardness value was determined by assessing 5 different sites on the enamel surface and the final SMH was noted.The microhardness values for the control group ranged from 70.68 - 93.44 HV.
DOI: 10.5281/zenodo.7744251
title: Microhardness of control group teeth after Radiation Therapy

description: The table shows microhardness values of 11 samples of control group after Radiation Therapy. Each microhardness value was determined by assessing 5 different sites on the enamel surface and the final SMH was noted.The microhardness values for the control group ranged from 70.68 - 93.44 HV.
DOI: 10.57967/hf/0447
title: CelebA_RoBERTa_Sp
DOI: 10.6084/m9.figshare.22284310
title: Maternal effect senescence via reduced DNA repair ability in the three-spined stickleback

description: Egg sample: mRNA levels in egg samples Female sample: oxidative DNA damage in female tissue samples; mtDNA damage and mtDNA copy number in egg samples from the IVF experiment Female ox_damage: oxidative DNA damage in female gonad and muscle tissues F1: F1 family data: hatching success, deformity, embryo gene expression, etc. sl_2m: body size of F1 at age 2 months sl_9m: body size of F1 at age 9 months survival: survival of F1 individuals ox_f_rpt: replicates of oxidative DNA damage analyses for females ox_m_rpt: replicates of oxidative DNA damage analysis for males mtDNAcn_rpt: replicates of mtDNA copy number analysis RNA_rpt: replicates of gene expression analyses
DOI: 10.6084/m9.figshare.22284310.v2
title: Maternal effect senescence via reduced DNA repair ability in the three-spined stickleback

description: Egg sample: mRNA levels in egg samples Female sample: oxidative DNA damage in female tissue samples; mtDNA damage and mtDNA copy number in egg samples from the IVF experiment Female ox_damage: oxidative DNA damage in female gonad and muscle tissues F1: F1 family data: hatching success, deformity, embryo gene expression, etc. sl_2m: body size of F1 at age 2 months sl_9m: body size of F1 at age 9 months survival: survival of F1 individuals ox_f_rpt: replicates of oxidative DNA damage analyses for females ox_m_rpt: replicates of oxidative DNA damage analysis for males mtDNAcn_rpt: replicates of mtDNA copy number analysis RNA_rpt: replicates of gene expression analyses
DOI: 10.6084/m9.figshare.22284310.v1
title: Maternal effect senescence via reduced DNA repair ability in the three-spined stickleback

description: Egg sample: mRNA levels in egg samples Female sample: oxidative DNA damage in female tissue samples; mtDNA damage and mtDNA copy number in egg samples from the IVF experiment Female ox_damage: oxidative DNA damage in female gonad and muscle tissues F1: F1 family data: hatching success, deformity, embryo gene expression, etc. sl_2m: body size of F1 at age 2 months sl_9m: body size of F1 at age 9 months survival: survival of F1 individuals ox_f_rpt: replicates of oxidative DNA damage analyses for females ox_m_rpt: replicates of oxidative DNA damage analysis for males mtDNAcn_rpt: replicates of mtDNA copy number analysis RNA_rpt: replicates of gene expression analyses
DOI: 10.18419/darus-3292/1
title: vel_sweep_s_250_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/2
title: rec_dSPACE1194.mat

description: :unav
DOI: 10.18419/darus-3292/3
title: milling.mat

description: :unav
DOI: 10.18419/darus-3292/4
title: vel_sweep_s_500_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/5
title: vel_sweep_s_50_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/6
title: SPP.mat

description: :unav
DOI: 10.18419/darus-3292/7
title: vel_sweep_s_600_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/8
title: vel_sweep_s_450_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/9
title: vel_sweep_s_0_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/10
title: vel_sweep_s_700_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/11
title: vel_sweep_s_600_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/12
title: xi_m20.mat

description: :unav
DOI: 10.18419/darus-3292/13
title: vel_sweep_s_300_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/14
title: vel_sweep_s_300_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/15
title: SPP.mat

description: :unav
DOI: 10.18419/darus-3292/16
title: vel_sweep_s_150_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/17
title: vel_sweep_s_400_dir_neg.mat

description: :unav
DOI: 10.18419/darus-3292/18
title: dStep.mat

description: :unav
DOI: 10.18419/darus-3292/19
title: params.txt

description: :unav
DOI: 10.18419/darus-3292/20
title: milling.mat

description: :unav
DOI: 10.18419/darus-3292/21
title: om0_p20.mat

description: :unav
DOI: 10.18419/darus-3292/22
title: SPP.mat

description: :unav
DOI: 10.18419/darus-3292/23
title: Readme.md

description: :unav
DOI: 10.18419/darus-3292/24
title: vel_sweep_s_450_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/25
title: vel_sweep_s_350_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/26
title: om0_m20.mat

description: :unav
DOI: 10.18419/darus-3292/27
title: dStep.mat

description: :unav
DOI: 10.18419/darus-3292/28
title: PRBS.mat

description: :unav
DOI: 10.18419/darus-3292/29
title: vel_sweep_s_150_dir_pos.mat

description: :unav
DOI: 10.18419/darus-3292/30
title: parameters.txt

description: :unav
DOI: 10.18419/darus-3292/31
title: vel_sweep_s_400_dir_pos.mat

description: :unav