cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3886/e112446v1-132280
title: Replication data for: Peer Effects, Teacher Incentives, and the Impact of Tracking: Evidence from a Randomized Evaluation in Kenya

description: To the extent that students benefit from high-achieving peers, tracking will help strong students and hurt weak ones. However, all students may benefit if tracking allows teachers to better tailor their instruction level. Lower-achieving pupils are particularly likely to benefit from tracking when teachers have incentives to teach to the top of the distribution. We propose a simple model nesting these effects and test its implications in a randomized tracking experiment conducted with 121 primary schools in Kenya. While the direct effect of high-achieving peers is positive, tracking benefited lower-achieving pupils indirectly by allowing teachers to teach to their level. (JEL I21, J45, O15)
DOI: 10.5517/ccdc.csd.cc2dh7bh
title: CCDC 2219176: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7cj
title: CCDC 2219177: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7dk
title: CCDC 2219178: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7fl
title: CCDC 2219179: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7gm
title: CCDC 2219180: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7hn
title: CCDC 2219181: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7jp
title: CCDC 2219182: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7kq
title: CCDC 2219183: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7lr
title: CCDC 2219184: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7ms
title: CCDC 2219185: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7nt
title: CCDC 2219186: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7pv
title: CCDC 2219187: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7qw
title: CCDC 2219188: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2dh7rx
title: CCDC 2219189: Experimental Crystal Structure Determination

description: Related Article: Yana M. Dikova, Dmitry S. Yufit, J. A. Gareth Williams|2023|Inorg.Chem.|62|1306|doi:10.1021/acs.inorgchem.2c04116
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.cc2d5r9n
title: CCDC 2210061: Experimental Crystal Structure Determination

description: Related Article: Ekaterina S. Uvarova, Anton V. Kutasevich, Egor S. Lipatov, Vitaly S. Mityanov|2022|Org.Biomol.Chem.|21|651|doi:10.1039/D2OB02157A
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.cc2dhh3j
title: CCDC 2219417: Experimental Crystal Structure Determination

description: Related Article: Raphael J. Zachmann, Kenzo Yahata, Mira Holzheimer, Maxime Jarret, Cornelia Wirtz, Alois Fürstner|2023|J.Am.Chem.Soc.|145|2584|doi:10.1021/jacs.2c12529
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.cc2dhh4k
title: CCDC 2219418: Experimental Crystal Structure Determination

description: Related Article: Areum Lee, Ju Ho Yang, Ju Hyun Oh, Benjamin P. Hay, Kyounghoon Lee, Vincent M. Lynch, Jonathan L. Sessler, Sung Kuk Kim|2023|Chemical Science|14|1218|doi:10.1039/D2SC06376J
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.cc2dhrvj
title: CCDC 2219688: Experimental Crystal Structure Determination

description: Related Article: Areum Lee, Ju Ho Yang, Ju Hyun Oh, Benjamin P. Hay, Kyounghoon Lee, Vincent M. Lynch, Jonathan L. Sessler, Sung Kuk Kim|2023|Chemical Science|14|1218|doi:10.1039/D2SC06376J
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: 10.34740/kaggle/dsv/4945672
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.6084/m9.figshare.21981887
title: vector.bw

description: 12345
DOI: 10.6084/m9.figshare.21981887.v2
title: vector.bw

description: 12345
DOI: 10.6084/m9.figshare.21981887.v1
title: vector.bw

description: 12345
DOI: 10.34740/kaggle/dsv/4945760
title: 2021 World Population (updated daily)
DOI: 10.5281/zenodo.7605020
title: Prioritizing New Inhibitors for TPD1 from a Library of Anthraquinone and Chalcone Derivatives.

description: The main purpose of virtual screening is to rank order hit compounds according to their affinity to the protein target. Several functions and techniques have been developed to achieve this purpose; however, simple and forward methods were found less efficient than the complex techniques. In this study, we aim at establishing a workflow that reduces the shortfalls of single methods by integrating structure- and ligand-based screening, especially when an imbalanced dataset is presented. QSAR predictions, pharmacophoric mapping, and shape similarity add up to the docking scores that are all fused to form a parallel Z-score fusion of the scores. The top-ranked structures in the four screening techniques, in addition to the consensus and molecular mechanics (MMGBSA) rescoring methods were compared with co-crystalized ligands and TDP1 inhibitors in terms of their molecular dynamic simulations, binding free energy, and poses. Interestingly, consensus and MMGBSA rescoring methods prioritized the most chemically-diverse structures among other screening ways. Screening by docking has brought structures with binding modes similar to the co-crystalized ligands, whereas, MMGBSA, consensus, and docking resulted in a dynamic simulation similar to and/or better than the co-crystalized ligands. Besides, QSAR-selected structures showed similar binding modes to the commercial TDP1 inhibitors. Notably, a strong correlation was established between the inhibitory concentrations and marketed TDP1 inhibitors’ binding energy values, thus, the inhibitory potencies of the top-ranked structures in such methods are expected to be in the same molar range. In conclusion, consensus scoring can be taken as an adaptable mainstay virtual screening methodology.
DOI: 10.5281/zenodo.7605019
title: Prioritizing New Inhibitors for TPD1 from a Library of Anthraquinone and Chalcone Derivatives.

description: The main purpose of virtual screening is to rank order hit compounds according to their affinity to the protein target. Several functions and techniques have been developed to achieve this purpose; however, simple and forward methods were found less efficient than the complex techniques. In this study, we aim at establishing a workflow that reduces the shortfalls of single methods by integrating structure- and ligand-based screening, especially when an imbalanced dataset is presented. QSAR predictions, pharmacophoric mapping, and shape similarity add up to the docking scores that are all fused to form a parallel Z-score fusion of the scores. The top-ranked structures in the four screening techniques, in addition to the consensus and molecular mechanics (MMGBSA) rescoring methods were compared with co-crystalized ligands and TDP1 inhibitors in terms of their molecular dynamic simulations, binding free energy, and poses. Interestingly, consensus and MMGBSA rescoring methods prioritized the most chemically-diverse structures among other screening ways. Screening by docking has brought structures with binding modes similar to the co-crystalized ligands, whereas, MMGBSA, consensus, and docking resulted in a dynamic simulation similar to and/or better than the co-crystalized ligands. Besides, QSAR-selected structures showed similar binding modes to the commercial TDP1 inhibitors. Notably, a strong correlation was established between the inhibitory concentrations and marketed TDP1 inhibitors’ binding energy values, thus, the inhibitory potencies of the top-ranked structures in such methods are expected to be in the same molar range. In conclusion, consensus scoring can be taken as an adaptable mainstay virtual screening methodology.
DOI: 10.34740/kaggle/dsv/4945824
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.5517/ccdc.csd.cc2dj2xy
title: CCDC 2220000: Experimental Crystal Structure Determination

description: Related Article: Antoine Barthélemy, Harald Scherer, Hanna Weller, Ingo Krossing|2023|Chem.Commun.|59|1353|doi:10.1039/D2CC06377H
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.cc2dj2yz
title: CCDC 2220001: Experimental Crystal Structure Determination

description: Related Article: Antoine Barthélemy, Harald Scherer, Hanna Weller, Ingo Krossing|2023|Chem.Commun.|59|1353|doi:10.1039/D2CC06377H
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.cc2dj2z0
title: CCDC 2220002: Experimental Crystal Structure Determination

description: Related Article: Antoine Barthélemy, Harald Scherer, Hanna Weller, Ingo Krossing|2023|Chem.Commun.|59|1353|doi:10.1039/D2CC06377H
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.cc2dj6gm
title: CCDC 2220110: Experimental Crystal Structure Determination

description: Related Article: Lin Zhang, Li-Na Ma, Gang-Ding Wang, Lei Hou, Zhonghua Zhu, Yao-Yu Wang|2023|J.Mater.Chem.A|11|2343|doi:10.1039/D2TA08977G
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.cc2djct4
title: CCDC 2220276: Experimental Crystal Structure Determination

description: Related Article: Jiru Shao, Yue Fu, Sunewang R. Wang|2023|Org.Lett.|25|555|doi:10.1021/acs.orglett.3c00025
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.cc2djcv5
title: CCDC 2220277: Experimental Crystal Structure Determination

description: Related Article: Jiru Shao, Yue Fu, Sunewang R. Wang|2023|Org.Lett.|25|555|doi:10.1021/acs.orglett.3c00025
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.cc2djcw6
title: CCDC 2220278: Experimental Crystal Structure Determination

description: Related Article: Jiru Shao, Yue Fu, Sunewang R. Wang|2023|Org.Lett.|25|555|doi:10.1021/acs.orglett.3c00025
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.cc2djcx7
title: CCDC 2220279: Experimental Crystal Structure Determination

description: Related Article: Jiru Shao, Yue Fu, Sunewang R. Wang|2023|Org.Lett.|25|555|doi:10.1021/acs.orglett.3c00025
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.cc2djcy8
title: CCDC 2220280: Experimental Crystal Structure Determination

description: Related Article: Jiru Shao, Yue Fu, Sunewang R. Wang|2023|Org.Lett.|25|555|doi:10.1021/acs.orglett.3c00025
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.cc2djr0q
title: CCDC 2220623: Experimental Crystal Structure Determination

description: Related Article: Ignacio Pérez-Ortega, Ana C. Albéniz|2023|Dalton Trans.|52|1425|doi:10.1039/D2DT03948F
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.cc2c7p3f
title: CCDC 2182124: Experimental Crystal Structure Determination

description: Related Article: Wei‐Lian Xie, Xiao‐Min Li, Jiao‐Min Lin, Long‐zhang Dong, Yu Chen, Ning Li, Jing‐Wen Shi, Jing‐Jing Liu, Jiang Liu, Shun‐Li Li, Ya‐Qian Lan|2022|Small|18|2205444|doi:10.1002/smll.202205444
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.cc2djx0w
title: CCDC 2220778: Experimental Crystal Structure Determination

description: Related Article: Dong Yan, Meng-Meng Ren, Fei-Fei Mao, Yu Ma, Ru-Ling Tang, Bingbing Zhang, Yao Ma, Xiu-Du Zhang, Shu-Fang Li|2023|Inorg.Chem.|62|1323|doi:10.1021/acs.inorgchem.3c00002
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.