cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1n0ytf
title: CCDC 1520265: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0yvg
title: CCDC 1520266: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0ywh
title: CCDC 1520267: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0yxj
title: CCDC 1520268: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0yyk
title: CCDC 1520269: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0yzl
title: CCDC 1520270: Experimental Crystal Structure Determination

description: Related Article: Jan Horstmann, Mark Niemann, Katarína Berthold, Andreas Mix, Beate Neumann, Hans-Georg Stammler, Norbert W. Mitzel|2017|Dalton Trans.|46|1898|doi:10.1039/C6DT04608H
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.cc1n0z0n
title: CCDC 1520271: Experimental Crystal Structure Determination

description: Related Article: Chenglong Li, Zhiqiang Li, Xianju Yan, Yuewei Zhang, Zuolun Zhang, Yue Wang|2017|J.Mater.Chem.C|5|1973|doi:10.1039/C6TC05639C
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.cc1n0z1p
title: CCDC 1520272: Experimental Crystal Structure Determination

description: Related Article: Chenglong Li, Zhiqiang Li, Xianju Yan, Yuewei Zhang, Zuolun Zhang, Yue Wang|2017|J.Mater.Chem.C|5|1973|doi:10.1039/C6TC05639C
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.cc1n0z3r
title: CCDC 1520274: Experimental Crystal Structure Determination

description: Related Article: Quentin A. Huchet, Nils Trapp, Bernd Kuhn, Björn Wagner, Klaus Müller|2017|J.Fluorine Chem.|198|34|doi:10.1016/j.jfluchem.2017.02.003
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.cc1n0z4s
title: CCDC 1520275: Experimental Crystal Structure Determination

description: Related Article: Quentin A. Huchet, Nils Trapp, Bernd Kuhn, Björn Wagner, Klaus Müller|2017|J.Fluorine Chem.|198|34|doi:10.1016/j.jfluchem.2017.02.003
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.cc1n0z5t
title: CCDC 1520276: Experimental Crystal Structure Determination

description: Related Article: Quentin A. Huchet, Nils Trapp, Bernd Kuhn, Björn Wagner, Klaus Müller|2017|J.Fluorine Chem.|198|34|doi:10.1016/j.jfluchem.2017.02.003
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.cc1n0z6v
title: CCDC 1520277: Experimental Crystal Structure Determination

description: Related Article: Quentin A. Huchet, Nils Trapp, Bernd Kuhn, Björn Wagner, Klaus Müller|2017|J.Fluorine Chem.|198|34|doi:10.1016/j.jfluchem.2017.02.003
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.cc1n0z7w
title: CCDC 1520278: Experimental Crystal Structure Determination

description: Related Article: Quentin A. Huchet, Nils Trapp, Bernd Kuhn, Björn Wagner, Klaus Müller|2017|J.Fluorine Chem.|198|34|doi:10.1016/j.jfluchem.2017.02.003
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.cc1n0z8x
title: CCDC 1520279: Experimental Crystal Structure Determination

description: Related Article: Ruiying Wang,  Lina Liu,  Lulu Lv,  Xing Wang,  Rui Chen,  and Benlai Wu|2017|Cryst.Growth Des.|17|3616|doi:10.1021/acs.cgd.6b01768
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.17432110
title: Algorithm Benchmark Suite v2.0: Synthetic Dataset for Circular Bias Detection

description: Algorithm Benchmark Suite v2.0


A comprehensive benchmark dataset for evaluating circular bias detection algorithms in AI evaluation contexts.


Dataset Contents


This archive contains 10 CSV files with synthetic evaluation data across diverse scenarios:




algorithm_benchmark_suite.csv - Main benchmark (20 records, 7 fields)

scenario_*.csv (9 files) - Controlled experiments with varying:



Noise levels (0.05-0.2)

Bias intensities (0.0-0.9)

Temporal configurations (8-20 periods)

Algorithm counts (3-6 algorithms)





Data Schema


Each record includes standardized fields:



time_period: Evaluation period ID (integer)

algorithm: Algorithm identifier (string)

performance: Performance metric [0-1] (float)

constraint_compute: Computational constraint (float)

constraint_memory: Memory constraint in GB (float)

constraint_dataset_size: Training dataset size (integer)

evaluation_protocol: Protocol version (string)



Use Cases



Benchmarking bias detection algorithms

Testing evaluation methodology robustness

Research on algorithmic fairness in temporal domains

Validation of circular reasoning detection frameworks



Reproducibility


All data is fully reproducible using the included generation script:
python data/generate_benchmark_data.py --validate


Associated Software


Framework implementation: https://github.com/hongping-zh/circular-bias-detection


Documentation



Data Dictionary: Comprehensive field specifications

JSON Schema: Formal validation rules

README: Usage examples and guidelines

CHANGELOG: Version history and updates



Citation

Zhang, H. (2024). Algorithm Benchmark Suite v2.0 [Data set]. Zenodo. https://doi.org/10.5281/zenodo.17201032
description: This dataset supports research on detecting circular reasoning bias in algorithm evaluation. All data is synthetically generated with controlled bias and noise parameters for reproducible benchmarking. Complete generation code and validation schema included.
DOI: 10.5517/ccdc.csd.cc1n0z9y
title: CCDC 1520280: Experimental Crystal Structure Determination

description: Related Article: Ruiying Wang,  Lina Liu,  Lulu Lv,  Xing Wang,  Rui Chen,  and Benlai Wu|2017|Cryst.Growth Des.|17|3616|doi:10.1021/acs.cgd.6b01768
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.cc1n0zbz
title: CCDC 1520281: Experimental Crystal Structure Determination

description: Related Article: Ruiying Wang,  Lina Liu,  Lulu Lv,  Xing Wang,  Rui Chen,  and Benlai Wu|2017|Cryst.Growth Des.|17|3616|doi:10.1021/acs.cgd.6b01768
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.cc1n0zc0
title: CCDC 1520282: Experimental Crystal Structure Determination

description: Related Article: Ruiying Wang,  Lina Liu,  Lulu Lv,  Xing Wang,  Rui Chen,  and Benlai Wu|2017|Cryst.Growth Des.|17|3616|doi:10.1021/acs.cgd.6b01768
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.cc1m1kx4
title: CCDC 1491066: Experimental Crystal Structure Determination

description: Related Article: Ewa Surmiak, Constantinos G. Neochoritis, Bogdan Musielak, Aleksandra Twarda-Clapa, Katarzyna Kurpiewska, Grzegorz Dubin, Carlos Camacho, Tad A. Holak, Alexander Dömling|2017|Eur.J.Med.Chem.|126|384|doi:10.1016/j.ejmech.2016.11.029
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.cc1n0zd1
title: CCDC 1520283: Experimental Crystal Structure Determination

description: Related Article: Ruiying Wang,  Lina Liu,  Lulu Lv,  Xing Wang,  Rui Chen,  and Benlai Wu|2017|Cryst.Growth Des.|17|3616|doi:10.1021/acs.cgd.6b01768
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.cc1my3ym
title: CCDC 1517541: Experimental Crystal Structure Determination

description: Related Article: S.I. Bezzubov, V.D. Doljenko, N.M. Kurnosov, I.S. Zharinova, I.V. Kovalenko, Y.M. Kiselev|2016|IUCrData|1|x161915|doi:10.1107/S2414314616019155
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.cc1n0zf2
title: CCDC 1520284: Experimental Crystal Structure Determination

description: Related Article: D. Selent, A. Spannenberg, A. Börner|2016|IUCrData|1|x161914|doi:10.1107/S2414314616019143
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.cc1mh56h
title: CCDC 1504126: Experimental Crystal Structure Determination

description: Related Article: Zhong-Yi Li, Yuan-Qing Cao, Xiang-Ming Zhang, Ya-Lan Xu, Guang-Xiu Cao, Fu-Li Zhang, Su-Zhi Li, Fu-Qiang Zhang, Bin Zhai|2017|New J.Chem.|41|457|doi:10.1039/C6NJ03278H
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.cc1n0zh4
title: CCDC 1520286: Experimental Crystal Structure Determination

description: Related Article: K. Czerwińska, M. Golec, M. Skonieczna, J. Palion-Gazda, D. Zygadło, A. Szlapa-Kula, S. Krompiec, B. Machura, A. Szurko|2017|Dalton Trans.|46|3381|doi:10.1039/C6DT04584G
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.cc1n0zj5
title: CCDC 1520287: Experimental Crystal Structure Determination

description: Related Article: K. Czerwińska, M. Golec, M. Skonieczna, J. Palion-Gazda, D. Zygadło, A. Szlapa-Kula, S. Krompiec, B. Machura, A. Szurko|2017|Dalton Trans.|46|3381|doi:10.1039/C6DT04584G
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.cc1n0zk6
title: CCDC 1520288: Experimental Crystal Structure Determination

description: Related Article: Rafael E. Rodríguez-Lugo, Bas de Bruin, Monica Trincado and Hansjörg Grützmacher|2017|Chem.-Eur.J.|23|6795|doi:10.1002/chem.201605624
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.cc1n0zl7
title: CCDC 1520289: Experimental Crystal Structure Determination

description: Related Article: Rafael E. Rodríguez-Lugo, Bas de Bruin, Monica Trincado and Hansjörg Grützmacher|2017|Chem.-Eur.J.|23|6795|doi:10.1002/chem.201605624
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.cc1n0zpb
title: CCDC 1520292: Experimental Crystal Structure Determination

description: Related Article: Wenping Zou, Wenmin Pang, Changle Chen|2017|Inorg.Chem.Front.|4|795|doi:10.1039/C6QI00562D
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.cc1mm6xc
title: CCDC 1508023: Experimental Crystal Structure Determination

description: Related Article: Marina Cindrić, Gordana Pavlović, Robert Katava, Dominique Agustin|2017|New J.Chem.|41|594|doi:10.1039/C6NJ03174A
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.cc1n0zqc
title: CCDC 1520293: Experimental Crystal Structure Determination

description: Related Article: Ekaterina V. Shevaldina, Anastasia D. Shagina, Valery N. Kalinin, Andrey B. Ponomaryov, Alexandr F. Smol'yakov, Sergey K. Moiseev|2017|J.Organomet.Chem.|836-837|1|doi:10.1016/j.jorganchem.2017.02.044
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.cc1n0zrd
title: CCDC 1520294: Experimental Crystal Structure Determination

description: Related Article: Ekaterina V. Shevaldina, Anastasia D. Shagina, Valery N. Kalinin, Andrey B. Ponomaryov, Alexandr F. Smol'yakov, Sergey K. Moiseev|2017|J.Organomet.Chem.|836-837|1|doi:10.1016/j.jorganchem.2017.02.044
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.cc1n0zsf
title: CCDC 1520295: Experimental Crystal Structure Determination

description: Related Article: Rafael E. Rodríguez-Lugo, Bas de Bruin, Monica Trincado and Hansjörg Grützmacher|2017|Chem.-Eur.J.|23|6795|doi:10.1002/chem.201605624
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.cc1n0zwj
title: CCDC 1520298: Experimental Crystal Structure Determination

description: Related Article: J. Černák, J. Kuchár, M. Hegedüs|2017|Acta Crystallogr.,Sect.E:Cryst.Commun.|73|8|doi:10.1107/S2056989016019162
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.cc1n0zxk
title: CCDC 1520299: Experimental Crystal Structure Determination

description: Related Article: Zhiyong Wu, David Lebœuf, Pascal Retailleau, Vincent Gandon, Angela Marinetti, Arnaud Voituriez|2017|Chem.Commun.|53|7026|doi:10.1039/C7CC03234J
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.cc1n0zyl
title: CCDC 1520300: Experimental Crystal Structure Determination

description: Related Article: Sheng Tao, Rong-Jie Wang, Ning Liu, and Bin Dai|2017|Chem. Sel.|2|2282|doi:10.1002/slct.201700128
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.