cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc277d74
title: CCDC 2062685: Experimental Crystal Structure Determination

description: Related Article: Xiuguo Gan, Rui Liu, Haitao Xu|2021|J.Poly.Res.|28|261|doi:10.1007/s10965-021-02625-8
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.cc277d85
title: CCDC 2062686: Experimental Crystal Structure Determination

description: Related Article: Xiuguo Gan, Rui Liu, Haitao Xu|2021|J.Poly.Res.|28|261|doi:10.1007/s10965-021-02625-8
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.cc277dkg
title: CCDC 2062695: Experimental Crystal Structure Determination

description: Related Article: Yuichi Kitagawa, Ayu Naito, Kota Aikawa, Kaori Shima, Sunao Shoji, Koji Fushimi, Yasuchika Hasegawa|2022|Chem.-Eur.J.|28||doi:10.1002/chem.202104401
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.cc277dpl
title: CCDC 2062699: Experimental Crystal Structure Determination

description: Related Article: Yuna Nishiguchi, Katsuhiko Moriyama|2021|Adv.Synth.Catal.|363|3354|doi:10.1002/adsc.202100316
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.cc277drn
title: CCDC 2062701: Experimental Crystal Structure Determination

description: Related Article: I.V.Dyachenko, V.D.Dyachenko, P.V.Dorovatovskii, V.N.Khrustalev, V.G.Nenajdenko|2021|Izv.Akad.Nauk SSSR,Ser.Khim.|70|949|doi:10.1007/s11172-021-3172-9
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.cc277dsp
title: CCDC 2062702: Experimental Crystal Structure Determination

description: Related Article: I.V.Dyachenko, V.D.Dyachenko, P.V.Dorovatovskii, V.N.Khrustalev, V.G.Nenajdenko|2021|Izv.Akad.Nauk SSSR,Ser.Khim.|70|949|doi:10.1007/s11172-021-3172-9
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.cc277dvr
title: CCDC 2062704: Experimental Crystal Structure Determination

description: Related Article: Lei Wang, Qin Zhou, Zilong Zhang, Wenbo Li, Xiaobing Wang, Qing Tian, Xiaoyan Yu, Ting Sun, Jihuai Wu, Bao Zhang, Peng Gao|2022|J. Energy  Chem.|64|179|doi:10.1016/j.jechem.2021.04.063
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.cc277f75
title: CCDC 2062716: Experimental Crystal Structure Determination

description: Related Article: Lei Wang, Qin Zhou, Zilong Zhang, Wenbo Li, Xiaobing Wang, Qing Tian, Xiaoyan Yu, Ting Sun, Jihuai Wu, Bao Zhang, Peng Gao|2022|J. Energy  Chem.|64|179|doi:10.1016/j.jechem.2021.04.063
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.cc277f86
title: CCDC 2062717: Experimental Crystal Structure Determination

description: Related Article: Morteza Torabi, Mohammad Ali Zolfigol, Meysam Yarie, Behrouz Notash, Saeid Azizian, Mina Mirzaei Azandaryani|2021|Scientific Reports|11|16846|doi:10.1038/s41598-021-95830-w
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.cc277fzx
title: CCDC 2062739: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, Loredana Latterini, Giulia Zampini, Robin Pierron, Jérémie Léonard, Stefania Fusi, Gianluca Giorgi, Germano Giuliani, Andrea Cappelli, Chiara Cappelli, Massimo Olivucci|2021|J.Phys.Chem.Lett.|12|3875|doi:10.1021/acs.jpclett.1c00526
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.cc277g0z
title: CCDC 2062740: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, Loredana Latterini, Giulia Zampini, Robin Pierron, Jérémie Léonard, Stefania Fusi, Gianluca Giorgi, Germano Giuliani, Andrea Cappelli, Chiara Cappelli, Massimo Olivucci|2021|J.Phys.Chem.Lett.|12|3875|doi:10.1021/acs.jpclett.1c00526
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.cc277g10
title: CCDC 2062741: Experimental Crystal Structure Determination

description: Related Article: Marco Paolino, Tommaso Giovannini, Madushanka Manathunga, Loredana Latterini, Giulia Zampini, Robin Pierron, Jérémie Léonard, Stefania Fusi, Gianluca Giorgi, Germano Giuliani, Andrea Cappelli, Chiara Cappelli, Massimo Olivucci|2021|J.Phys.Chem.Lett.|12|3875|doi:10.1021/acs.jpclett.1c00526
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.cc277gyx
title: CCDC 2062769: Experimental Crystal Structure Determination

description: Related Article: Yong-Jun Bian, Ying-Ya Qu, Fen-Fang Li, Zheng-Wei Zhang, Jian-Qing Li, Yong-Qiang Chen, Zhen Shen|2021|Wuji Huaxue Xuebao|37|1089|doi:10.11862/CJIC.2021.127
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.cc277h11
title: CCDC 2062772: Experimental Crystal Structure Determination

description: Related Article: Paul-Henry Denis, Martijn Mertens, Wouter T. M. Van Gompel, Kristof Van Hecke, Bart Ruttens, Jan D’Haen, Laurence Lutsen, Dirk Vanderzande|2021|Chem.Mater.|33|5177|doi:10.1021/acs.chemmater.1c01221
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.cc277h22
title: CCDC 2062773: Experimental Crystal Structure Determination

description: Related Article: Paul-Henry Denis, Martijn Mertens, Wouter T. M. Van Gompel, Kristof Van Hecke, Bart Ruttens, Jan D’Haen, Laurence Lutsen, Dirk Vanderzande|2021|Chem.Mater.|33|5177|doi:10.1021/acs.chemmater.1c01221
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.cc277h33
title: CCDC 2062774: Experimental Crystal Structure Determination

description: Related Article: Paul-Henry Denis, Martijn Mertens, Wouter T. M. Van Gompel, Kristof Van Hecke, Bart Ruttens, Jan D’Haen, Laurence Lutsen, Dirk Vanderzande|2021|Chem.Mater.|33|5177|doi:10.1021/acs.chemmater.1c01221
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.cc277h44
title: CCDC 2062775: Experimental Crystal Structure Determination

description: Related Article: Paul-Henry Denis, Martijn Mertens, Wouter T. M. Van Gompel, Kristof Van Hecke, Bart Ruttens, Jan D’Haen, Laurence Lutsen, Dirk Vanderzande|2021|Chem.Mater.|33|5177|doi:10.1021/acs.chemmater.1c01221
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.cc24tt5z
title: CCDC 1991011: Experimental Crystal Structure Determination

description: Related Article: Mateja Pisačić, Ivana Biljan, Ivan Kodrin, Nina Popov, Željka Soldin, Marijana Đaković|2021|Chem.Mater.|33|3660|doi:10.1021/acs.chemmater.1c00539
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.cc24tt60
title: CCDC 1991012: Experimental Crystal Structure Determination

description: Related Article: Mateja Pisačić, Ivana Biljan, Ivan Kodrin, Nina Popov, Željka Soldin, Marijana Đaković|2021|Chem.Mater.|33|3660|doi:10.1021/acs.chemmater.1c00539
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.cc24tt71
title: CCDC 1991013: Experimental Crystal Structure Determination

description: Related Article: Mateja Pisačić, Ivana Biljan, Ivan Kodrin, Nina Popov, Željka Soldin, Marijana Đaković|2021|Chem.Mater.|33|3660|doi:10.1021/acs.chemmater.1c00539
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.cc277j89
title: CCDC 2062810: Experimental Crystal Structure Determination

description: Related Article: E. V. Korneeva, I. A. Lutsenko, O. B. Bekker, K. L. Isakovskaya, A. V. Ivanov|2022|Russ.J.Coord.Chem.|48|924|doi:10.1134/S1070328422700063
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.cc277k35
title: CCDC 2062836: Experimental Crystal Structure Determination

description: Related Article: Jie Liu, Felix Otte, Carsten Strohmann, Herbert Waldmann|2021|Tetrahedron Lett.|76|153228|doi:10.1016/j.tetlet.2021.153228
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.cc277k46
title: CCDC 2062837: Experimental Crystal Structure Determination

description: Related Article: Jie Liu, Felix Otte, Carsten Strohmann, Herbert Waldmann|2021|Tetrahedron Lett.|76|153228|doi:10.1016/j.tetlet.2021.153228
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.cc277kjl
title: CCDC 2062849: Experimental Crystal Structure Determination

description: Related Article: Smita Patnaik,  Uddhav Kanbur,  Arkady Ellern,  Aaron D. Sadow|2021|Chem.-Eur.J.|27|10428|doi:10.1002/chem.202101146
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.cc277kkm
title: CCDC 2062850: Experimental Crystal Structure Determination

description: Related Article: Smita Patnaik,  Uddhav Kanbur,  Arkady Ellern,  Aaron D. Sadow|2021|Chem.-Eur.J.|27|10428|doi:10.1002/chem.202101146
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.cc277kln
title: CCDC 2062851: Experimental Crystal Structure Determination

description: Related Article: Smita Patnaik,  Uddhav Kanbur,  Arkady Ellern,  Aaron D. Sadow|2021|Chem.-Eur.J.|27|10428|doi:10.1002/chem.202101146
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: 10.5281/zenodo.17441911
title: Classification of research publications based on data from OpenAlex

description: This data set contains an algorithmic classification of research publications based on data from OpenAlex. The classification is based on the OpenAlex snapshot from August 2024.

To build the classification, we used the so-called extended direct citation approach in combination with the Leiden algorithm. The source code of our software is available here. The classification covers the 78 million journal articles and reviews, proceedings papers, preprints, and book chapters in OpenAlex that were published between 2000 and 2023 and that are connected to each other by citation links. Based on 2099 million citation links, we built a three-level hierarchical classification. Each publication was assigned to a cluster at each of the three levels of the classification. Clusters consist of publications that are relatively strongly connected by citation links and that can therefore be expected to be topically related. At each level of the classification, a publication was assigned to only one cluster, which means clusters do not overlap.

The classification consists of 4521 micro clusters at the lowest (most granular) level, 917 meso clusters at the middle level, and 20 macro clusters at the highest (least granular) level. We also algorithmically linked each cluster in the classification to one or more of the following five broad main fields: biomedical and health sciences, life and earth sciences, mathematics and computer science, physical sciences and engineering, and social sciences and humanities.

We used the Updated GPT 3.5 Turbo large language model, developed by OpenAI, to label the 4521 micro clusters at the lowest level in the classification. The source code of our software can be found here.

See this blog post for more information about the classification.

 

The classification, including the labels of the micro clusters, is available in the following tab-delimited files.

 

clustering.tsv



work_id

doi

macro_cluster_id

meso_cluster_id

micro_cluster_id


 

main_field.tsv



main_field_id

main_field


 

macro_cluster.tsv



macro_cluster_id

macro_cluster

n_works


 

macro_cluster_main_field.tsv



macro_cluster_id

main_field_seq

main_field_id

weight

is_primary_main_field


 

meso_cluster.tsv



meso_cluster_id

meso_cluster

parent_macro_cluster_id

n_works


 

meso_cluster_main_field.tsv



meso_cluster_id

main_field_seq

main_field_id

weight

is_primary_main_field


 

meso_cluster_source.tsv



meso_cluster_id

source_seq

source_id

n_works


 

micro_cluster.tsv



micro_cluster_id

micro_cluster

short_label

long_label

keywords

summary

wikipedia_url

parent_macro_cluster_id

parent_meso_cluster_id

n_works


 

micro_cluster_main_field.tsv



micro_cluster_id

main_field_seq

main_field_id

weight

is_primary_main_field


 

micro_cluster_keyword.tsv



micro_cluster_id

keyword_seq

keyword


 

micro_cluster_source.tsv



micro_cluster_id

source_seq

source_id

n_works
DOI: 10.5517/ccdc.csd.cc277kmp
title: CCDC 2062852: Experimental Crystal Structure Determination

description: Related Article: Smita Patnaik,  Uddhav Kanbur,  Arkady Ellern,  Aaron D. Sadow|2021|Chem.-Eur.J.|27|10428|doi:10.1002/chem.202101146
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.cc277ksv
title: CCDC 2062857: Experimental Crystal Structure Determination

description: Related Article: Bibhuti Bhusan Rath, Jagadese J. Vittal|2021|Chem.Mater.|33|4621|doi:10.1021/acs.chemmater.1c01124
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.cc277ktw
title: CCDC 2062858: Experimental Crystal Structure Determination

description: Related Article: Bibhuti Bhusan Rath, Jagadese J. Vittal|2021|Chem.Mater.|33|4621|doi:10.1021/acs.chemmater.1c01124
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.cc277kvx
title: CCDC 2062859: Experimental Crystal Structure Determination

description: Related Article: Dawei Cao, Chen-Chen Li, Huiying Zeng, Yong Peng, Chao-Jun Li|2021|Nat.Commun.|12|3729|doi:10.1038/s41467-021-23971-7
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.cc277kz1
title: CCDC 2062863: Experimental Crystal Structure Determination

description: Related Article:  Scott E. Denmark, Casey L. Olen|2021|CSD Communication|||
description: Related Article: Casey L. Olen, Andrew F. Zahrt, Sean W. Reilly, Danielle Schultz, Khateeta Emerson, David Candito, Xiao Wang, Neil A. Strotman, Scott E. Denmark|2024|ACS Catalysis|14|2642|doi:10.1021/acscatal.3c05903
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.