cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c8j5c
title: CCDC 2182932: Experimental Crystal Structure Determination

description: Related Article: Thomas J. Gately, Cameron Cook, Raghad Almuzarie, Imadul Islam, Zachary Gardner, Robbie J. Iuliucci, Rabih O. Al-Kaysi, Gregory J. O. Beran, Christopher J. Bardeen|2022|Cryst.Growth Des.|22|7298|doi:10.1021/acs.cgd.2c00930
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.cc2cgxxp
title: CCDC 2189093: Experimental Crystal Structure Determination

description: Related Article: Ji-Tun Chen, Han Yan, Tian-Tian Wang, Teng-Da Zhou, Wen-Bin Sun|2022|Inorg.Chem.|61|19097|doi:10.1021/acs.inorgchem.2c02474
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.cc2cgxyq
title: CCDC 2189094: Experimental Crystal Structure Determination

description: Related Article: Ji-Tun Chen, Han Yan, Tian-Tian Wang, Teng-Da Zhou, Wen-Bin Sun|2022|Inorg.Chem.|61|19097|doi:10.1021/acs.inorgchem.2c02474
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.cc2cgy0t
title: CCDC 2189096: Experimental Crystal Structure Determination

description: Related Article: Ji-Tun Chen, Han Yan, Tian-Tian Wang, Teng-Da Zhou, Wen-Bin Sun|2022|Inorg.Chem.|61|19097|doi:10.1021/acs.inorgchem.2c02474
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.cc2cmrg7
title: CCDC 2193729: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmrpg
title: CCDC 2193736: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmrqh
title: CCDC 2193737: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmrsk
title: CCDC 2193739: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmrvm
title: CCDC 2193741: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmrwn
title: CCDC 2193742: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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: 10.25901/5d806557deee7
title: Monitoring the response of littoral and floodplain vegetation and soil moisture flux to weir pool raising -2015

description: A series of 11 Locks and Weirs along the River Murray are managed to provide stable water levels for irrigation and navigation, resulting in reduced hydrological variability and complexity. Flow stablisation favours species adapted to comparatively stable, lentic conditions and potentially limits the life history processes of native biota adapted to intermittent and lotic environments. Flow regulation contributes to reduced river-floodplain connectivity leading to a subsequent decline in riparian and floodplain vegetation. Various water level management interventions have been trialed along the River Murray to provide environmental benefits by restoring a greater range of water regimes. Weir pool surcharge is one method used to increase river channel water level variability and deliver water to temporary wetlands and lowlying floodplain. This can benefit vegetation that has reduced in condition, distribution and abundance because they are less tolerant of stable regulated conditions or have become water stressed as a result of a loss in river-floodplain connectivity or increased dry intervals between inundation events. This data set is the result of this investigation. The data was collected over 18 months between August 2015 and December 2016- before, during and after the weir pool levels were raised. The data set contains information on Tree Condition including crown extent and density, bark form, epicormic growth and state, reproduction, crown growth, leaf die off and damage, and mistletoe. Leaf Water Potential, taken predawn and in the middle of the day. Plant Area Index/Canopy Cover measurements using hemispherical photos. Soil Chemistry measurements- total soil moisture (gravimetric water content; %), soil suction (or soil matric potential), Electrical Conductivity and pH
DOI: 10.5281/zenodo.7456119
title: Vertex balanced dataset (protein ligand-binding sites)

description: Vertex balanced dataset. This dataset consists in 676 pairs of binding-sites<br> (338 similar pairs, 338 dissimilar pairs). The original Vertex dataset was describbed in (but is not downloadable from):<br> ---<br> Chen, Y. C., Tolbert, R., Aronov, A. M., McGaughey, G., Walters, W. P., & Meireles, L. (2016).<br> Prediction of protein pairs sharing common active ligands using protein sequence,<br> structure, and ligand similarity.<br> Journal of chemical information and modeling, 56(9), 1734-1745.<br> https://doi.org/10.1021/acs.jcim.6b00118<br> --- Its balanced version was recently describbed in (but is not downloadable from):<br> ---<br> Eguida, M., & Rognan, D. (2020).<br> A computer vision approach to align and compare protein cavities:<br> application to fragment-based drug design.<br> Journal of Medicinal Chemistry, 63(13), 7127-7142.<br> https://doi.org/10.1021/acs.jmedchem.0c00422<br> ---<br>
DOI: 10.5281/zenodo.7456118
title: Vertex balanced dataset (protein ligand-binding sites)

description: Vertex balanced dataset. This dataset consists in 676 pairs of binding-sites<br> (338 similar pairs, 338 dissimilar pairs). The original Vertex dataset was describbed in (but is not downloadable from):<br> ---<br> Chen, Y. C., Tolbert, R., Aronov, A. M., McGaughey, G., Walters, W. P., & Meireles, L. (2016).<br> Prediction of protein pairs sharing common active ligands using protein sequence,<br> structure, and ligand similarity.<br> Journal of chemical information and modeling, 56(9), 1734-1745.<br> https://doi.org/10.1021/acs.jcim.6b00118<br> --- Its balanced version was recently describbed in (but is not downloadable from):<br> ---<br> Eguida, M., & Rognan, D. (2020).<br> A computer vision approach to align and compare protein cavities:<br> application to fragment-based drug design.<br> Journal of Medicinal Chemistry, 63(13), 7127-7142.<br> https://doi.org/10.1021/acs.jmedchem.0c00422<br> ---<br>
DOI: 10.6084/m9.figshare.21741239
title: DynAMICS_Results

description: The results of DynAMICS on the dataset with a 10 minutes execution. The results of Paprika and aDoctor on the dataset. The potential code smells associated with.
DOI: 10.6084/m9.figshare.21741239.v1
title: DynAMICS_Results

description: The results of DynAMICS on the dataset with a 10 minutes execution. The potential code smells associated with.
DOI: 10.6084/m9.figshare.21746363
title: DynAMICS_Events

description: The events associated to code smells from the paper : DynAMICS: A tool-based method for the specification and dynamic detection of Android behavioural code smells
DOI: 10.6084/m9.figshare.21746363.v1
title: DynAMICS_Events

description: The events associated to code smells from the paper : DynAMICS: A tool-based method for the specification and dynamic detection of Android behavioural code smells
DOI: 10.6084/m9.figshare.21747596
title: DynAMICS Validation

description: The validation from the paper : DynAMICS: A tool-based method for the specification and dynamic detection of Android behavioural code smells
DOI: 10.6084/m9.figshare.21747602
title: DynAMICS Dataset

description: The dataset used in the paper : DynAMICS: A tool-based method for the specification and dynamic detection of Android behavioural code smells
DOI: 10.6084/m9.figshare.21749291.v2
title: [Extended data] Factors associated with the use of rehabilitation services among people with disabilities in Chile: A population-based study

description: This project contains the following extended data: Supplementary material (Table of operationalization of variables) Stata do-file (Contains the commands used for data analysis) The ENDISC II questionnaire <br>
DOI: 10.6084/m9.figshare.21749291.v1
title: [Extended data] Factors associated with the use of rehabilitation services among people with disabilities in Chile: A population-based study

description: This project contains the following extended data: Supplementary material (Table of operationalization of variables) Stata do-file (Contains the commands used for data analysis) The ENDISC II questionnaire <br>
DOI: 10.34856/eos-rs_202211_indonesia_floods
title: EOS-RS Flood Proxy Maps: South Sulawesi, Indonesia, Floods, Nov 2022

description: The Earth Observatory of Singapore - Remote Sensing Lab (EOS-RS) created preliminary Flood Proxy Maps (FPM) covering Makassar, South Sulawesi. These maps were derived from synthetic aperture radar (SAR) images acquired by the Copernicus Sentinel-1 satellites operated by the European Space Agency (ESA).
DOI: 10.6084/m9.figshare.21749270.v1
title: Unique fallback food selection in nonhuman primates

description: This datas inculed the nutritional and chemical components of two lichen, <em>R.bieti </em>feeding time in different month, Mean temperature of each monthe, and FAI of their habitat.
DOI: 10.34856/eos-rs_202210_philippines_storm_nalgae
title: EOS-RS Flood Proxy Map: Mindanao, Philippines, Storm Nalgae (Paeng), Oct 2022

description: The Earth Observatory of Singapore - Remote Sensing Lab (EOS-RS) created preliminary Flood Proxy Maps (FPM) covering Mindanao, Philippines due to heavy rains brought about by Tropical Storm Nalgae (Paeng). These maps were derived from synthetic aperture radar (SAR) images acquired by the Copernicus Sentinel-1 satellites operated by the European Space Agency (ESA).
DOI: 10.21227/49vr-wr08
title: {DynAMICS: A tool-based method for the specification and dynamic detection of Android behavioural code smells

description: Code smells are the result of poor design choices within software systems that complexify source code and impede evolution and performance. Therefore, detecting code smells within software systems is an important priority to decrease technical debt. Furthermore, the emergence of mobile applications (apps) has brought new types of Android-specific code smells, which relate to limitations and constraints on resources like memory, performance and energy consumption. Among these Android-specific smells are those that describe inappropriate behaviour during the execution that may negatively impact software quality. Static analysis tools, however, show limitations for detecting these behavioural code smells and properly detecting behavioural code smells requires considering the dynamic behaviour of the apps. To dynamically detect behavioural code smells, we hence propose three contributions : (1) A method, the DynAMICS method, a step-by-step method for the specification and dynamic detection of Android behavioural code smells; (2) A tool, the DynAMICS tool, implementing this method on seven code smells; and (3) A validation of our approach on 538 apps from F-Droid with a comparison with the static analysis detection tools, aDoctor and Paprika, from the literature. Our method consists of four steps: (1) the specification of the code smells, (2) the instrumentation of the app, (3) the execution of the apps, and (4) the detection of the behavioural code smells. Our results show that many instances of code smells that cannot be detected with static detection tools are indeed detected with our dynamic approach with an average precision of 92.8% and an average recall of 53.4%.
DOI: 10.5517/ccdc.csd.cc2cmrzr
title: CCDC 2193745: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cms0t
title: CCDC 2193746: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cms1v
title: CCDC 2193747: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cms3x
title: CCDC 2193749: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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.cc2cmxkh
title: CCDC 2193887: Experimental Crystal Structure Determination

description: Related Article: Lixin Cao, Zhengguo Cai, Mingyuan Li|2022|Organometallics|41|3538|doi:10.1021/acs.organomet.2c00389
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.cc2cmxmk
title: CCDC 2193889: Experimental Crystal Structure Determination

description: Related Article: Lixin Cao, Zhengguo Cai, Mingyuan Li|2022|Organometallics|41|3538|doi:10.1021/acs.organomet.2c00389
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.cc2cmz55
title: CCDC 2193937: Experimental Crystal Structure Determination

description: Related Article: Imogen A. Z. Squire, Christopher A. Goult, Benedict C. Thompson, Elias Alexopoulos, Adrian C. Whitwood, Theo F. N. Tanner, Luke A. Wilkinson|2022|Inorg.Chem.|61|19144|doi:10.1021/acs.inorgchem.2c02746
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: 10.25505/fiz.icsd.cc2cnxjh
title: CSD 2194847: Experimental Crystal Structure Determination

description: Related Article: Ling Luo, Linan Wang, Jianbang Chen, Jiazheng Zhou, Zhihua Yang, Shilie Pan, Junjie Li|2022|J.Am.Chem.Soc.|144|21916|doi:10.1021/jacs.2c08318
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cn18c
title: CCDC 2194002: Experimental Crystal Structure Determination

description: Related Article: Zixuan Zhang, Zhiyu Wang, Herman H.-Y. Sung, Ian D. Williams, Zhi-Gang Yu, Haipeng Lu|2022|J.Am.Chem.Soc.|144|22242|doi:10.1021/jacs.2c10309
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.cc2cynkk
title: CCDC 2203249: Experimental Crystal Structure Determination

description: Related Article: Zhongke Shen, Qin Tang, Wei Jiao, Huawu Shao, Xiaofeng Ma|2022|J.Org.Chem.|87|16736|doi:10.1021/acs.joc.2c02390
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.ccxy3tr
title: CCDC 862135: Experimental Crystal Structure Determination

description: Related Article: Zhongke Shen, Qin Tang, Wei Jiao, Huawu Shao, Xiaofeng Ma|2022|J.Org.Chem.|87|16736|doi:10.1021/acs.joc.2c02390
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.cc2d0y1f
title: CCDC 2205434: Experimental Crystal Structure Determination

description: Related Article: Si-Hua Hou, Xuan Yu, Rui Zhang, Cole Wagner, Guangbin Dong|2022|J.Am.Chem.Soc.|144|22159|doi:10.1021/jacs.2c09814
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.