cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc273qjm
title: CCDC 2059160: Experimental Crystal Structure Determination

description: Related Article: Toader, Ana-Maria, Buta, Maria Cristina, Cimpoesu, Fanica, Toma, Andrei-Iulian, Zalaru, Christina Marie, Cinteza, Ludmila Otilia, Ferbinteanu, Marilena|2021|Chemistry|3|411|doi:10.3390/chemistry3010031
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.cc273qlp
title: CCDC 2059162: Experimental Crystal Structure Determination

description: Related Article: Renate Gessmann, Hans Brückner, Kyriacos Petratos|2021|J.Pept.Sci.|27||doi:10.1002/psc.3307
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.17333801
title: Customer Churn Prediction

description: Source Code and Dataset for Customer Churn Prediction using Explainable AI (XAI)

This repository contains the dataset and Python source code used for a comprehensive comparative analysis of Machine Learning algorithms in predicting customer churn within the telecommunication industry.

Key Contents:





Dataset (telco.csv): A widely used customer churn dataset from the telecommunications sector.




Source Code: A Python script implementing five supervised Machine Learning models (CatBoost, XGBoost, Random Forest, Logistic Regression, and KNN) for comparative performance evaluation.




Methodology: The code includes steps for data preprocessing (KNN Imputation, Scaling, One-Hot Encoding), addressing class imbalance (SMOTE), and a detailed implementation of Explainable AI (XAI) techniques, namely SHAP (Global Interpretation) and LIME (Local Interpretation), based on the best-performing model (CatBoost).



The materials provided enable the full reproducibility of the results, performance comparison, efficiency assessment, and the managerial insights derived from the XAI framework discussed in the corresponding publication.
DOI: 10.5517/ccdc.csd.cc273qmq
title: CCDC 2059163: Experimental Crystal Structure Determination

description: Related Article: Toader, Ana-Maria, Buta, Maria Cristina, Cimpoesu, Fanica, Toma, Andrei-Iulian, Zalaru, Christina Marie, Cinteza, Ludmila Otilia, Ferbinteanu, Marilena|2021|Chemistry|3|411|doi:10.3390/chemistry3010031
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.cc273r7c
title: CCDC 2059182: Experimental Crystal Structure Determination

description: Related Article: Toader, Ana-Maria, Buta, Maria Cristina, Cimpoesu, Fanica, Toma, Andrei-Iulian, Zalaru, Christina Marie, Cinteza, Ludmila Otilia, Ferbinteanu, Marilena|2021|Chemistry|3|411|doi:10.3390/chemistry3010031
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.cc273qtx
title: CCDC 2059169: Experimental Crystal Structure Determination

description: Related Article: Dhurke Kashinath, Kota Sathish, Sakkani Nagaraju|2021|SynOpen|05|123|doi:10.1055/a-1480-9837
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.cc273qwz
title: CCDC 2059171: Experimental Crystal Structure Determination

description: Related Article: Dhurke Kashinath, Kota Sathish, Sakkani Nagaraju|2021|SynOpen|05|123|doi:10.1055/a-1480-9837
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.cc273r59
title: CCDC 2059180: Experimental Crystal Structure Determination

description: Related Article: Dhurke Kashinath, Kota Sathish, Sakkani Nagaraju|2021|SynOpen|05|123|doi:10.1055/a-1480-9837
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.cc273r6b
title: CCDC 2059181: Experimental Crystal Structure Determination

description: Related Article: Dhurke Kashinath, Kota Sathish, Sakkani Nagaraju|2021|SynOpen|05|123|doi:10.1055/a-1480-9837
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.cc273r8d
title: CCDC 2059183: Experimental Crystal Structure Determination

description: Related Article: Rakesh Kumar Rai, Ramesh Karri, Kshatresh Dutta Dubey, Gouriprasanna Roy|2022|J.Agric.Food Chem.|70|9730|doi:10.1021/acs.jafc.2c02359
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.cc273rpt
title: CCDC 2059196: Experimental Crystal Structure Determination

description: Related Article: Spencer P. Heins, Patrick E. Schneider, Amy L. Speelman, Sharon Hammes-Schiffer, Aaron M. Appel|2021|ACS Catalysis|11|6384|doi:10.1021/acscatal.1c00781
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.cc273rqv
title: CCDC 2059197: Experimental Crystal Structure Determination

description: Related Article: Spencer P. Heins, Patrick E. Schneider, Amy L. Speelman, Sharon Hammes-Schiffer, Aaron M. Appel|2021|ACS Catalysis|11|6384|doi:10.1021/acscatal.1c00781
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.cc273rsx
title: CCDC 2059199: Experimental Crystal Structure Determination

description: Related Article: Youssef Shaalan, Lee Boulton, Craig Jamieson|2020|Org.Process Res.Dev.|24|2745|doi:10.1021/acs.oprd.0c00410
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.cc273sv0
title: CCDC 2059232: Experimental Crystal Structure Determination

description: Related Article: Pascale Foury-Leylekian, Vita Ilakovac, Pierre Fertey, Victor Baledent, Ognjen Milat, Kazuya Miyagawa, Kazushi Kanoda, Takaaki Hiramatsu, Yukihiro Yoshida, Gunzi Saito, Pere Alemany, Enric Canadell, Silvia Tomic, Jean-Paul Pouget|2020|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|76|581|doi:10.1107/S2052520620005545
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.cc273thp
title: CCDC 2059252: Experimental Crystal Structure Determination

description: Related Article: Bao‐Xin Liu, Ru‐Jie Yan, Xiao‐Xun Li, Wei Du, Ying‐Chun Chen|2021|Asian J.Org.Chem|10|784|doi:10.1002/ajoc.202100078
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.cc273tjq
title: CCDC 2059253: Experimental Crystal Structure Determination

description: Related Article: Bao‐Xin Liu, Ru‐Jie Yan, Xiao‐Xun Li, Wei Du, Ying‐Chun Chen|2021|Asian J.Org.Chem|10|784|doi:10.1002/ajoc.202100078
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.cc273tkr
title: CCDC 2059254: Experimental Crystal Structure Determination

description: Related Article: Xuan Zhang,  Xian-Xian Liu,  Yin-Nan Xing,  Mei Zhang,  Yang Zhao,  Yuan-Yuan Wei,  Bo Zhang,  Rui-Hua Jiao|2021|J.Asian Nat.Prod.Res.|24|1|doi:10.1080/10286020.2021.1935893
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.cc273tls
title: CCDC 2059255: Experimental Crystal Structure Determination

description: Related Article: Xingyu Chen, Sixian Lu, Ping Deng, Xiaoqiang Chang, Yifan Zhao, Yue Ma, Dong Zhang, Fei Xia, Lan Yang, Jigang Wang, Peng Sun|2022|Adv.Synth.Catal.|364|94|doi:10.1002/adsc.202100607
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.cc273tnv
title: CCDC 2059257: Experimental Crystal Structure Determination

description: Related Article: Xin Zhou, Baiyi Mao, Zhanbin Zhang|2021|Molecules|26|857|doi:10.3390/molecules26040857
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.cc273tqx
title: CCDC 2059259: Experimental Crystal Structure Determination

description: Related Article: Xingyu Chen, Sixian Lu, Ping Deng, Xiaoqiang Chang, Yifan Zhao, Yue Ma, Dong Zhang, Fei Xia, Lan Yang, Jigang Wang, Peng Sun|2022|Adv.Synth.Catal.|364|94|doi:10.1002/adsc.202100607
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.cc273try
title: CCDC 2059260: Experimental Crystal Structure Determination

description: Related Article: Xingyu Chen, Sixian Lu, Ping Deng, Xiaoqiang Chang, Yifan Zhao, Yue Ma, Dong Zhang, Fei Xia, Lan Yang, Jigang Wang, Peng Sun|2022|Adv.Synth.Catal.|364|94|doi:10.1002/adsc.202100607
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.cc273tw2
title: CCDC 2059264: Experimental Crystal Structure Determination

description: Related Article: Xingyu Chen, Sixian Lu, Ping Deng, Xiaoqiang Chang, Yifan Zhao, Yue Ma, Dong Zhang, Fei Xia, Lan Yang, Jigang Wang, Peng Sun|2022|Adv.Synth.Catal.|364|94|doi:10.1002/adsc.202100607
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.cc273tx3
title: CCDC 2059265: Experimental Crystal Structure Determination

description: Related Article: Zhong Zhang, Lin Yang, Na Xu, Xiao-Hui Li|2022|J.Cluster Sci.|33|1249|doi:10.1007/s10876-021-02059-8
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.cc273v18
title: CCDC 2059269: Experimental Crystal Structure Determination

description: Related Article: Carley Giffert L. Nongpiur, Lincoln Dkhar, Deepak Kumar Tripathi, Krishna Mohan Poluri, Werner Kaminsky, Mohan Rao Kollipara|2021|Inorg.Chim.Acta|525|120459|doi:10.1016/j.ica.2021.120459
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.cc273v29
title: CCDC 2059270: Experimental Crystal Structure Determination

description: Related Article: Carley Giffert L. Nongpiur, Lincoln Dkhar, Deepak Kumar Tripathi, Krishna Mohan Poluri, Werner Kaminsky, Mohan Rao Kollipara|2021|Inorg.Chim.Acta|525|120459|doi:10.1016/j.ica.2021.120459
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.cc273v3b
title: CCDC 2059271: Experimental Crystal Structure Determination

description: Related Article: Carley Giffert L. Nongpiur, Lincoln Dkhar, Deepak Kumar Tripathi, Krishna Mohan Poluri, Werner Kaminsky, Mohan Rao Kollipara|2021|Inorg.Chim.Acta|525|120459|doi:10.1016/j.ica.2021.120459
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.cc273v4c
title: CCDC 2059272: Experimental Crystal Structure Determination

description: Related Article: Carley Giffert L. Nongpiur, Lincoln Dkhar, Deepak Kumar Tripathi, Krishna Mohan Poluri, Werner Kaminsky, Mohan Rao Kollipara|2021|Inorg.Chim.Acta|525|120459|doi:10.1016/j.ica.2021.120459
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.cc26h0rh
title: CCDC 2040226: Experimental Crystal Structure Determination

description: Related Article: Radhe Shyam Ji, Abhinav Raghuvanshi, Badrinath Jha, Pradeep Mathur|2021|J.Organomet.Chem.|938|121755|doi:10.1016/j.jorganchem.2021.121755
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.cc273x7j
title: CCDC 2059337: Experimental Crystal Structure Determination

description: Related Article: I. V. Egorova, V. V. Zhidkov, I. P. Grinishak, N. А. Rodionova, I. Yu. Bagryanskaya, N. V. Pervukhina|2021|Zh.Obshch.Khim.|91|1361|doi:10.1134/S1070363221070148
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.cc26h0nd
title: CCDC 2040223: Experimental Crystal Structure Determination

description: Related Article: Radhe Shyam Ji, Abhinav Raghuvanshi, Badrinath Jha, Pradeep Mathur|2021|J.Organomet.Chem.|938|121755|doi:10.1016/j.jorganchem.2021.121755
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.cc273vcl
title: CCDC 2059279: Experimental Crystal Structure Determination

description: Related Article: Jianing Wu, Wen-Hua Xu, Hong Lu, Peng-Fei Xu
|2021|Adv.Synth.Catal.|363|3013|doi:10.1002/adsc.202100293
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.cc273xq0
title: CCDC 2059352: Experimental Crystal Structure Determination

description: Related Article: Ao-Lin Zhang, Xin-Chen Li, Juan Min, Li-Tao Tan, Hong-Liang Xu, Xiao-Ge Zhu, Yu-Xin Yao, Zu-Hui Zheng, Jian-Wei Zhu, Jie Yang|2021|Inorg.Chim.Acta|522|120380|doi:10.1016/j.ica.2021.120380
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.cc273wpy
title: CCDC 2059320: Experimental Crystal Structure Determination

description: Related Article: Jia Gu,  Jin-Zhu Chen,  Xu-Liang Nie,  Guo-Ping Huang,  Jian-Ping Huang|2021|Z.Kristallogr.-New Cryst.Struct.|236|635|doi:10.1515/ncrs-2021-0024
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.cc273wr0
title: CCDC 2059322: Experimental Crystal Structure Determination

description: Related Article: Kwang Ha|2021|Z.Kristallogr.-New Cryst.Struct.|236|631|doi:10.1515/ncrs-2021-0025
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.cc273ww4
title: CCDC 2059326: Experimental Crystal Structure Determination

description: Related Article: Xiao‐Tian Sun|2021|Z.Kristallogr.-New Cryst.Struct.|236|639|doi:10.1515/ncrs-2021-0010
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.cc273ykw
title: CCDC 2059378: Experimental Crystal Structure Determination

description: Related Article: Luo Juan,  Gu Jia,  Wang Jie,  Liu Li-Hui,  Peng Da-Yong|2021|Z.Kristallogr.-New Cryst.Struct.|236|627|doi:10.1515/ncrs-2021-0021
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.