cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.19455962
title: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'

description: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'
DOI: 10.6084/m9.figshare.19455962.v3
title: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'

description: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'
DOI: 10.6084/m9.figshare.19455962.v2
title: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'

description: Supporting Information for 'Formation of late Miocene silicic volcanic rocks in the central Tibetan Plateau by crustal anatexis of granulites'
DOI: 10.34740/kaggle/dsv/4142993
title: YouTube Daily
DOI: 10.6084/m9.figshare.20337178
title: A holistic molecular modelling approach to design novel indole-2-carboxamide derivatives as potential inhibitors of MmpL3

description: Tuberculosis is an infectious air-borne disease and one of the leading causes of death globally among all infectious diseases. There is an urgent need to develop antitubercular drugs that would be highly efficient and less toxic than the presently available marketed drugs. <i>Mycobacterium</i> membrane protein large 3 (MmpL3) is an emerging drug target in tuberculosis with various classes of molecules that have been known to inhibit it. In this study, a dataset of indole-2-carboxamides showing antitubercular activity by inhibiting MmpL3 was utilized. Initially, a chimera-based homology model was developed and docking was performed with the filtered dataset to analyse the interactions. Thereafter, molecular dynamics simulations were run with representative molecules to gain a better insight on the binding patterns. To attain a more quantitative correlation, an atom-based 3D QSAR model was developed which complemented the results from the previous models. A library of novel indole-2-carboxamides was then generated using core hopping-based ligand enumeration and upon screening on our workflow model it predicted three molecules as potent antitubercular compounds. This work not only helps to gain new insights on the interactions at the MmpL3 binding site but also provides novel indole-2-carboxamides having the potential to become antitubercular drugs in future.
DOI: 10.6084/m9.figshare.20337178.v2
title: A holistic molecular modelling approach to design novel indole-2-carboxamide derivatives as potential inhibitors of MmpL3

description: Tuberculosis is an infectious air-borne disease and one of the leading causes of death globally among all infectious diseases. There is an urgent need to develop antitubercular drugs that would be highly efficient and less toxic than the presently available marketed drugs. <i>Mycobacterium</i> membrane protein large 3 (MmpL3) is an emerging drug target in tuberculosis with various classes of molecules that have been known to inhibit it. In this study, a dataset of indole-2-carboxamides showing antitubercular activity by inhibiting MmpL3 was utilized. Initially, a chimera-based homology model was developed and docking was performed with the filtered dataset to analyse the interactions. Thereafter, molecular dynamics simulations were run with representative molecules to gain a better insight on the binding patterns. To attain a more quantitative correlation, an atom-based 3D QSAR model was developed which complemented the results from the previous models. A library of novel indole-2-carboxamides was then generated using core hopping-based ligand enumeration and upon screening on our workflow model it predicted three molecules as potent antitubercular compounds. This work not only helps to gain new insights on the interactions at the MmpL3 binding site but also provides novel indole-2-carboxamides having the potential to become antitubercular drugs in future.
DOI: 10.6084/m9.figshare.20337178.v1
title: A holistic molecular modelling approach to design novel indole-2-carboxamide derivatives as potential inhibitors of MmpL3

description: Tuberculosis is an infectious air-borne disease and one of the leading causes of death globally among all infectious diseases. There is an urgent need to develop antitubercular drugs that would be highly efficient and less toxic than the presently available marketed drugs. <i>Mycobacterium</i> membrane protein large 3 (MmpL3) is an emerging drug target in tuberculosis with various classes of molecules that have been known to inhibit it. In this study, a dataset of indole-2-carboxamides showing antitubercular activity by inhibiting MmpL3 was utilized. Initially, a chimera-based homology model was developed and docking was performed with the filtered dataset to analyse the interactions. Thereafter, molecular dynamics simulations were run with representative molecules to gain a better insight on the binding patterns. To attain a more quantitative correlation, an atom-based 3D QSAR model was developed which complemented the results from the previous models. A library of novel indole-2-carboxamides was then generated using core hopping-based ligand enumeration and upon screening on our workflow model it predicted three molecules as potent antitubercular compounds. This work not only helps to gain new insights on the interactions at the MmpL3 binding site but also provides novel indole-2-carboxamides having the potential to become antitubercular drugs in future.
DOI: 10.5281/zenodo.7037651
title: Expert validation results

description: A dataset containing the results from an expert validation of the dashboard meta-model published in https://zenodo.org/record/7037624
DOI: 10.25574/53013
title: Chandra X-ray Observatory ObsId 53013
DOI: 10.5281/zenodo.7037650
title: Expert validation results

description: A dataset containing the results from an expert validation of the dashboard meta-model published in https://zenodo.org/record/7037624
DOI: 10.25574/53024
title: Chandra X-ray Observatory ObsId 53024
DOI: 10.25574/53031
title: Chandra X-ray Observatory ObsId 53031
DOI: 10.25574/53038
title: Chandra X-ray Observatory ObsId 53038
DOI: 10.25574/53045
title: Chandra X-ray Observatory ObsId 53045
DOI: 10.25574/53052
title: Chandra X-ray Observatory ObsId 53052
DOI: 10.25574/53054
title: Chandra X-ray Observatory ObsId 53054
DOI: 10.25574/53082
title: Chandra X-ray Observatory ObsId 53082
DOI: 10.25574/53089
title: Chandra X-ray Observatory ObsId 53089
DOI: 10.25574/53095
title: Chandra X-ray Observatory ObsId 53095
DOI: 10.25574/53102
title: Chandra X-ray Observatory ObsId 53102
DOI: 10.25574/53109
title: Chandra X-ray Observatory ObsId 53109
DOI: 10.6084/m9.figshare.20747551.v1
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.25574/53115
title: Chandra X-ray Observatory ObsId 53115
DOI: 10.25574/53140
title: Chandra X-ray Observatory ObsId 53140
DOI: 10.25574/53148
title: Chandra X-ray Observatory ObsId 53148
DOI: 10.25574/53156
title: Chandra X-ray Observatory ObsId 53156
DOI: 10.25574/53165
title: Chandra X-ray Observatory ObsId 53165
DOI: 10.25574/53171
title: Chandra X-ray Observatory ObsId 53171
DOI: 10.25574/53183
title: Chandra X-ray Observatory ObsId 53183
DOI: 10.25574/53191
title: Chandra X-ray Observatory ObsId 53191
DOI: 10.25574/53197
title: Chandra X-ray Observatory ObsId 53197
DOI: 10.25574/53203
title: Chandra X-ray Observatory ObsId 53203
DOI: 10.25574/53205
title: Chandra X-ray Observatory ObsId 53205
DOI: 10.25574/53209
title: Chandra X-ray Observatory ObsId 53209
DOI: 10.25574/53214
title: Chandra X-ray Observatory ObsId 53214
DOI: 10.25574/53222
title: Chandra X-ray Observatory ObsId 53222
DOI: 10.25574/53229
title: Chandra X-ray Observatory ObsId 53229
DOI: 10.25574/53235
title: Chandra X-ray Observatory ObsId 53235
DOI: 10.25574/53240
title: Chandra X-ray Observatory ObsId 53240
DOI: 10.5523/bris.1608ds02po8it2jufacsom4nm8
title: Decoupling the impact of bulk and surface point defects on the photoelectrochemical properties of LaFeO3 thin films

description: Data associated with the article published in Chemical Science 2022
DOI: 10.6084/m9.figshare.20747551.v2
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20747551.v3
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20748292
title: Data Set S5-test.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20748292.v1
title: Data Set S5-test.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.25919/qzaq-4182
title: ACT microlichens ITS sequence database

description: This is the first version of the ACT microlichen sequence database, which includes 347 sequences, representing 151 specimens from 99 microlichen species found in the ACT. It was published in Muelleria in 2022.
DOI: 10.5517/ccdc.csd.cc259hzz
title: CCDC 2005141: Experimental Crystal Structure Determination

description: Related Article: Qingsong Wang, Wei Gao, Yan Chen, Xiaohui Wang, Jin Zeng, Yiwei Liu, Huijuan Ran, Zhen Hu, Jie Bai, Xing Feng, Carl Redshaw, Qing Chen, Jian-Yong Hu|2021|Asian J.Org.Chem|10|233|doi:10.1002/ajoc.202000616
description: Related Article: Xing Feng|2020|CSD Communication|||
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.cc259j01
title: CCDC 2005142: Experimental Crystal Structure Determination

description: Related Article: Qingsong Wang, Wei Gao, Yan Chen, Xiaohui Wang, Jin Zeng, Yiwei Liu, Huijuan Ran, Zhen Hu, Jie Bai, Xing Feng, Carl Redshaw, Qing Chen, Jian-Yong Hu|2021|Asian J.Org.Chem|10|233|doi:10.1002/ajoc.202000616
description: Related Article: Xing Feng|2020|CSD Communication|||
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.cc259j12
title: CCDC 2005143: Experimental Crystal Structure Determination

description: Related Article: Qingsong Wang, Wei Gao, Yan Chen, Xiaohui Wang, Jin Zeng, Yiwei Liu, Huijuan Ran, Zhen Hu, Jie Bai, Xing Feng, Carl Redshaw, Qing Chen, Jian-Yong Hu|2021|Asian J.Org.Chem|10|233|doi:10.1002/ajoc.202000616
description: Related Article: Xing Feng|2020|CSD Communication|||
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.20747551
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20747551.v4
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20747551.v5
title: Data Set S5.xlsx

description: Data Set S5. The intracellular concentrations of amino acids in response to increasing NH<sub>4</sub><sup>+ </sup>concentrations.
DOI: 10.6084/m9.figshare.20738626.v1
title: pyrocystis_lunula_decontaminated_FSCR.fasta.gz

description: ......
DOI: 10.6084/m9.figshare.20738626
title: pyrocystis_lunula_decontaminated_FSCR.fasta.gz

description: ......
DOI: 10.5281/zenodo.4973336
title: Visual Function Score: A New Clinical Tool to Assess Visual Function and Detect Visual Disorders in Children

description: The database contains in the first sheet the raw data derived from the administration of the Visual Function Score (VFS) to a sample of 100 visually impaired children. VFS is a quantitative tool conceived for the assessment of visual functions in children and is thoroughly described in the article. For each item of the VFS, the clinicians assigned a score according to the instructions provided with the template in the original article. The total score of a subject is defined as the weighted sum of the 51 items of the second section (columns L-BJ of the spreadsheet) which is normalized to obtain a score from 0 to 100. The scoring system is described in the second sheet (‘encoding’) together with the meaning of the items.
description: Funding: Ricerca Corrente 2020, Ministry of Health (Italy)
DOI: 10.5281/zenodo.4973335
title: Visual Function Score: A New Clinical Tool to Assess Visual Function and Detect Visual Disorders in Children

description: The database contains in the first sheet the raw data derived from the administration of the Visual Function Score (VFS) to a sample of 100 visually impaired children. VFS is a quantitative tool conceived for the assessment of visual functions in children and is thoroughly described in the article. For each item of the VFS, the clinicians assigned a score according to the instructions provided with the template in the original article. The total score of a subject is defined as the weighted sum of the 51 items of the second section (columns L-BJ of the spreadsheet) which is normalized to obtain a score from 0 to 100. The scoring system is described in the second sheet (‘encoding’) together with the meaning of the items.
description: Funding: Ricerca Corrente 2020, Ministry of Health (Italy)
DOI: 10.5281/zenodo.7037671
title: WP2 DESIRA_Online survey_Data

description: The online survey complements the key-informants interviews and participatory workshop (or focus group discussions) organized in the living labs (LL) to provide a thorough and holistic socio-economic impact assessment to co-create knowledge on possible impact and shared transition pathways toward digitalization. The survey was designed jointly by UNIPI and KIT-ITAS and addresses all stakeholders involved in the LL.
DOI: 10.5281/zenodo.7037672
title: WP2 DESIRA_Online survey_Data

description: The online survey complements the key-informants interviews and participatory workshop (or focus group discussions) organized in the living labs (LL) to provide a thorough and holistic socio-economic impact assessment to co-create knowledge on possible impact and shared transition pathways toward digitalization. The survey was designed jointly by UNIPI and KIT-ITAS and addresses all stakeholders involved in the LL.
DOI: 10.24377/ljmu.d.00000115
title: Readability of Online Health Information in the UK Pertaining to Migraine and Headache

description: An estimated 46% of the worldwide adult population live with an active headache disorder, and it is thought that there is a proportion of headache and migraine sufferers do not attend for medical care, instead choosing to manage their symptoms at home. The internet continues to act as a source of online health information for self-management, however, it is important that this information can be understood by the user. Research indicates that most health information online is written at a level too difficult for much of the UK population to understand. The aim of this study was to investigate the readability of online health information pertaining to headache and migraine for a UK-based internet user accessing the top four search engines. Searches for “headache” and “migraine” were performed on each search engine and results from the first page were selected for analysis. Five validated readability tests were used to analyse readability; Flesch-Kincaid Grade Level, Flesch Reading Ease, Gunning Fog Index, Coleman-Liau Index and Simple Measure of Gobbledygook index. We found that the majority of online health information about migraine and headache is too difficult for the UK adult population to read. Findings highlight work required to ensure that information from a wider variety of sources is easier to comprehend for much of the population in order for individuals to make informed decisions about health seeking and self-management of headache and migraine. Health information providers should weave readability analysis into their content design process, incorporating shorter sentences and simpler words in their description of conditions and treatment.
description: Authors used the search terms "headache" and "migraine" on the top 4 UK search engines and retrieved websites from the first page of results. Plain text was entered into readable.com and results were inputted into the database. Duplicates, websites not in English, websites not including information on headache or migraine aimed at adults, websites aimed at clinicians, information behind a paywall, discussion boards, advertisements and newspaper articles were excluded from the analysis.
DOI: 10.6084/m9.figshare.20747437
title: DATA of Fuzzy_Q-learning_Interaction_Controller_Design_for_Collaborative_Robot

description: DATA of Fuzzy_Q-learning_Interaction_Controller_Design_for_Collaborative_Robot
DOI: 10.6084/m9.figshare.20747437.v1
title: DATA of Fuzzy_Q-learning_Interaction_Controller_Design_for_Collaborative_Robot

description: DATA of Fuzzy_Q-learning_Interaction_Controller_Design_for_Collaborative_Robot
DOI: 10.5517/ccdc.csd.cc1n798g
title: CCDC 1526355: Experimental Crystal Structure Determination

description: Related Article: Yu Wang, Hui-Ming Zeng, Wei-Tao Mao, Xiao-Juan Wang, Zhan-Guo Jiang, Cai-Hong Zhan, Yun-Long Feng|2021|Inorg.Chem.Commun.|129|108613|doi:10.1016/j.inoche.2021.108613
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.cc1nqq8c
title: CCDC 1541173: Experimental Crystal Structure Determination

description: Related Article: Qian-Qian Huang|2021|Inorg.Chem.Commun.|132|108795|doi:10.1016/j.inoche.2021.108795
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.cc257d72
title: CCDC 2003103: Experimental Crystal Structure Determination

description: Related Article: Manik Jana, Raja Narayansamy, Dandamudi Usharani, Kamini Tripathi, Harapriya Rath|2022|Org.Biomol.Chem.|20|6741|doi:10.1039/D2OB01180H
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.cc257d61
title: CCDC 2003102: Experimental Crystal Structure Determination

description: Related Article: Manik Jana, Raja Narayansamy, Dandamudi Usharani, Kamini Tripathi, Harapriya Rath|2022|Org.Biomol.Chem.|20|6741|doi:10.1039/D2OB01180H
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.cc28ycby
title: CCDC 2113590: Experimental Crystal Structure Determination

description: Related Article: Yang Geng, Xianying Gao, Apeng Liang, Jingya Li, Dapeng Zou, Yangjie Wu, Yusheng Wu|2022|Org.Biomol.Chem.|20|6750|doi:10.1039/D2OB01044E
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.cc28yccz
title: CCDC 2113591: Experimental Crystal Structure Determination

description: Related Article: Yang Geng, Xianying Gao, Apeng Liang, Jingya Li, Dapeng Zou, Yangjie Wu, Yusheng Wu|2022|Org.Biomol.Chem.|20|6750|doi:10.1039/D2OB01044E
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.cc29845x
title: CCDC 2122978: Experimental Crystal Structure Determination

description: Related Article: Ceng Han, Jason A. McNulty, Alasdair J. Bradford, Alexandra M. Z. Slawin, Finlay D. Morrison, Stephen L. Lee, Philip Lightfoot|2022|Inorg.Chem.|61|3230|doi:10.1021/acs.inorgchem.1c03726
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.cc2btdbx
title: CCDC 2169359: Experimental Crystal Structure Determination

description: Related Article: Alexander S. Golubev, Petr N. Ostapchuk, Tatiana V. Strelkova, Nikolai D. Kagramanov, Kyrill Yu. Suponitsky, Rina U. Takazova, Nikolai D. Chkanikov|2022|Org.Biomol.Chem.|20|6809|doi:10.1039/D2OB01177H
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.cc2bx0t3
title: CCDC 2171885: Experimental Crystal Structure Determination

description: Related Article: Chada Raji Reddy, Dattahari H. Kolgave, Uprety Ajaykumar, Remya Ramesh|2022|Org.Biomol.Chem.|20|6879|doi:10.1039/D2OB01282K
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.