cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc25q0gd
title: CCDC 2017153: Experimental Crystal Structure Determination

description: Related Article: Polina M. Ivantcova, Anna A. Kirsanova, Vladimir I. Polshakov, Konstantin A. Lyssenko, Konstantin V. Kudryavtsev|2023|Org.Lett.|25|7573|doi:10.1021/acs.orglett.3c03030
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.cc25q0hf
title: CCDC 2017154: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.17440769
title: Analysis of Adversarial Examples in Trained Neural Network Classifiers

description: This dataset accompanies the article “Analysis of Adversarial Examples in Trained Neural Network Classifiers” .

Deep learning models have achieved remarkable success across various domains, yet they remain vulnerable to adversarial examples — small, carefully crafted perturbations of input data that lead to incorrect predictions. This project explores the behavior of neural network architectures under adversarial attacks and provides all resources necessary for reproducing and extending the experiments presented in the paper.

The repository contains:





Trained neural network models – including fully connected, convolutional, and residual networks (ResNet)




Adversarial examples generated using four attack types constrained by different Lp norms




Computed distances and manifold projections between clean and adversarial samples across layers




Nearest-neighbor analyses and dimensionality-reduction data (e.g., PCA results)



These materials support the paper’s investigation into where and how misclassifications occur within network architectures and provide quantitative and qualitative insight into model robustness.

The data were generated using PyTorch, and all scripts are available athttps://github.com/JPolasko/Adversarial-Attack-visualization.

Contents





/networks/ – pretrained networks for different datasets


/data/ –  different datasets 



/adversarials/ – generated adversarial inputs




/distances/ – computed layer-wise distances and similarity metrics




/visualizations/ – PCA, t-SNE, and projection data for visualization
DOI: 10.5517/ccdc.csd.cc25q0jg
title: CCDC 2017155: Experimental Crystal Structure Determination

description: Related Article: Yiqiang Xu, Yanna Wang, Ye Zhong, Guorong Lei, Zhimin Li, Jianguo Zhang,  Tonglai Zhang|2020|Energy Fuels|34|14667|doi:10.1021/acs.energyfuels.0c02570
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.cc25q0kh
title: CCDC 2017156: Experimental Crystal Structure Determination

description: Related Article: Rajesh G. Gonnade, Sekai Iwama, Yuko Mori, Hiroki Takahashi, Hirohito Tsue, Rui Tamura|2011|Cryst.Growth Des.|11|607|doi:10.1021/cg1015274
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.cc25q0lj
title: CCDC 2017157: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q0rp
title: CCDC 2017162: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q132
title: CCDC 2017173: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q154
title: CCDC 2017175: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1hg
title: CCDC 2017185: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1kj
title: CCDC 2017187: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1lk
title: CCDC 2017188: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
description: Related Article: Dongxu He, Xingjun Xu, Yi Lu, Min-Jie Zhou, Xiangyou Xing|2020|Org.Lett.|22|8458|doi:10.1021/acs.orglett.0c03064
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.cc25q1ml
title: CSD 2017189: Experimental Crystal Structure Determination

description: Related Article: Maxim S. Likhanov,  Nikita V. Sytov,  Zheng Wei,  Evgeny V. Dikarev,  Andrei V. Shevelkov|2020|Crystals|10|670|doi:10.3390/cryst10080670
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: 10.25505/fiz.icsd.cc25q1nm
title: CSD 2017190: Experimental Crystal Structure Determination

description: Related Article: Maxim S. Likhanov,  Nikita V. Sytov,  Zheng Wei,  Evgeny V. Dikarev,  Andrei V. Shevelkov|2020|Crystals|10|670|doi:10.3390/cryst10080670
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: 10.25505/fiz.icsd.cc25q1pn
title: CSD 2017191: Experimental Crystal Structure Determination

description: Related Article: Maxim S. Likhanov,  Nikita V. Sytov,  Zheng Wei,  Evgeny V. Dikarev,  Andrei V. Shevelkov|2020|Crystals|10|670|doi:10.3390/cryst10080670
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.cc25q1qp
title: CCDC 2017192: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1rq
title: CCDC 2017193: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1sr
title: CCDC 2017194: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1vt
title: CCDC 2017196: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1wv
title: CCDC 2017197: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1yx
title: CCDC 2017199: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q1zy
title: CCDC 2017200: Experimental Crystal Structure Determination

description: Related Article: Kevin Nguyen, Helen A. Clement, Louise Bernier, Jotham W. Coe, William Farrell, Christopher J. Helal, Matthew R. Reese, Neal W. Sach, Jack C. Lee, Dennis G. Hall|2021|ACS Catalysis|11|404|doi:10.1021/acscatal.0c04520
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.cc25q200
title: CCDC 2017201: Experimental Crystal Structure Determination

description: Related Article: Kevin Nguyen, Helen A. Clement, Louise Bernier, Jotham W. Coe, William Farrell, Christopher J. Helal, Matthew R. Reese, Neal W. Sach, Jack C. Lee, Dennis G. Hall|2021|ACS Catalysis|11|404|doi:10.1021/acscatal.0c04520
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.cc25q244
title: CCDC 2017205: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q0qn
title: CCDC 2017161: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q277
title: CCDC 2017208: Experimental Crystal Structure Determination

description: Related Article: Fumin Chen, Yu Chen, Xiao-Yong Chang, Dongxu He, Qingjing Yang, David Zhigang Wang, Chen Xu, Peiyuan Yu, Xiangyou Xing |2024|Nat.Commun.|15|3394|doi:10.1038/s41467-024-47813-4
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.cc25q288
title: CCDC 2017209: Experimental Crystal Structure Determination

description: Related Article: Polina M. Ivantcova, Anna A. Kirsanova, Vladimir I. Polshakov, Konstantin A. Lyssenko, Konstantin V. Kudryavtsev|2023|Org.Lett.|25|7573|doi:10.1021/acs.orglett.3c03030
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.cc25q2cc
title: CCDC 2017212: Experimental Crystal Structure Determination

description: Related Article: Ayon Sengupta, Suvendu Maity, Pinaki Saha, Prasanta Ghosh, Sonali Rudra, Chhanda Mukhopadhyay|2023|Mol.Diversity|27|1385|doi:10.1007/s11030-022-10496-4
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.cc25q2ff
title: CCDC 2017214: Experimental Crystal Structure Determination

description: Related Article: Ayon Sengupta, Suvendu Maity, Pinaki Saha, Prasanta Ghosh, Sonali Rudra, Chhanda Mukhopadhyay|2023|Mol.Diversity|27|1385|doi:10.1007/s11030-022-10496-4
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.cc25q468
title: CCDC 2017269: Experimental Crystal Structure Determination

description: Related Article: Xiaoqiang Hu,  Yixin Zhang,  Baixiang Li,  Zhongbao Jian|2021|Chem.-Eur.J.|27|11935|doi:10.1002/chem.202101521
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.cc25q4bd
title: CCDC 2017273: Experimental Crystal Structure Determination

description: Related Article: Xiaoqiang Hu,  Yixin Zhang,  Baixiang Li,  Zhongbao Jian|2021|Chem.-Eur.J.|27|11935|doi:10.1002/chem.202101521
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.cc25q4cf
title: CCDC 2017274: Experimental Crystal Structure Determination

description: Related Article: Xiaoqiang Hu,  Yixin Zhang,  Baixiang Li,  Zhongbao Jian|2021|Chem.-Eur.J.|27|11935|doi:10.1002/chem.202101521
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.cc25q4fh
title: CCDC 2017276: Experimental Crystal Structure Determination

description: Related Article: Shijun Su, Qing Zhou, Xuemei Tang, Feng Peng, Tingting Liu, Liwei Liu, Chengwei Xie, Ming He, Wei Xue|2021|Monatsh.Chem.|152|345|doi:10.1007/s00706-021-02739-1
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.cc249y3j
title: CSD 1975757: Experimental Crystal Structure Determination

description: Related Article: Yu Sun,  Yanhua Li,  Yongkang Guo,  Yan Liu,  Xiaoyu Cao,  Min Ji,  Zhonglu You,  Yonglin An|2021|Inorg.Chem.Commun.|123|108303|doi:10.1016/j.inoche.2020.108303
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.