cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2j9y3x
title: CCDC 2333249: Experimental Crystal Structure Determination

description: Related Article: Min Wang, Zhongbo Zhang, Jing Lyu, Jian Qiu, Chang Gu, He Zhao, Tao Wang, Yiwen Ren, Shuo‐Wang Yang, Guo Qin Xu, Xiaogang Liu|2024|Angew.Chem.,Int.Ed.|63|e202401949|doi:10.1002/anie.202401949
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.cc2j9y5z
title: CCDC 2333251: Experimental Crystal Structure Determination

description: Related Article: Pavel Tkachenko, Polina Topchiyan, Semen Berdyugin, Sergey Tkachev, Eugene Maximovskiy, Dmitiy Sheven, Danila Vasilchenko|2024|Inorg.Chem.|63|12042|doi:10.1021/acs.inorgchem.4c00909
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.cc2j9z83
title: CCDC 2333285: Experimental Crystal Structure Determination

description: Related Article: Chong-Lin Zhu, Chong-Dao Lu|2024|Org.Lett.|26|2606|doi:10.1021/acs.orglett.4c00614
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.cc2j9z94
title: CCDC 2333286: Experimental Crystal Structure Determination

description: Related Article: Chong-Lin Zhu, Chong-Dao Lu|2024|Org.Lett.|26|2606|doi:10.1021/acs.orglett.4c00614
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.cc2j9y60
title: CCDC 2333252: Experimental Crystal Structure Determination

description: Related Article: Jinzhen Yao, Jing Sun, Xiao Li, Yang Lin, Yihe Zhao, Xueping Chen, Mengyao Li, Zhexu Wang, Zhong-Min Su|2024|J.Mol.Struct.|1319|139485|doi:10.1016/j.molstruc.2024.139485
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.cc2j9zb5
title: CCDC 2333287: Experimental Crystal Structure Determination

description: Related Article: Chong-Lin Zhu, Chong-Dao Lu|2024|Org.Lett.|26|2606|doi:10.1021/acs.orglett.4c00614
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.17445543
title: Training data for AIQM3 and AIQM3@DFT

description: This repository contains the training data for AIQM3 and AIQM3@DFT
DOI: 10.5281/zenodo.17445544
title: Training data for AIQM3 and AIQM3@DFT

description: This repository contains the training data for AIQM3 and AIQM3@DFT
DOI: 10.5517/ccdc.csd.cc2j9y71
title: CCDC 2333253: Experimental Crystal Structure Determination

description: Related Article: Ana Luque-Gómez, Daniel Barrena-Espés, Pilar García-Orduña, Andrea Pérez-García, Miguel A. Casado, Julen Munarriz, Manuel Iglesias|2025|Angew.Chem.,Int.Ed.|64|e202513522|doi:10.1002/anie.202513522
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.cc2j9y93
title: CCDC 2333255: Experimental Crystal Structure Determination

description: Related Article: Jinzhen Yao, Jing Sun, Xiao Li, Yang Lin, Yihe Zhao, Xueping Chen, Mengyao Li, Zhexu Wang, Zhong-Min Su|2024|J.Mol.Struct.|1319|139485|doi:10.1016/j.molstruc.2024.139485
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.cc2j9yb4
title: CCDC 2333256: Experimental Crystal Structure Determination

description: Related Article: Pavel A. Pirozhkov, Anna V. Vologzhanina, Anton V. Savchenkov|2024|Chem. Sel.|9|e202401019|doi:10.1002/slct.202401019
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.cc2j9yc5
title: CCDC 2333257: Experimental Crystal Structure Determination

description: Related Article: Pavel A. Pirozhkov, Anna V. Vologzhanina, Anton V. Savchenkov|2024|Chem. Sel.|9|e202401019|doi:10.1002/slct.202401019
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.cc2j9yd6
title: CCDC 2333258: Experimental Crystal Structure Determination

description: Related Article: Pavel A. Pirozhkov, Anna V. Vologzhanina, Anton V. Savchenkov|2024|Chem. Sel.|9|e202401019|doi:10.1002/slct.202401019
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.cc2j9yf7
title: CCDC 2333259: Experimental Crystal Structure Determination

description: Related Article: Pavel A. Pirozhkov, Anna V. Vologzhanina, Anton V. Savchenkov|2024|Chem. Sel.|9|e202401019|doi:10.1002/slct.202401019
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.cc2hffcr
title: CCDC 2306814: Experimental Crystal Structure Determination

description: Related Article: Atiqur Rahman, Srijan Mondal, Mantu Modak, Ashi Singh, Navdeep S. Thayat, Hanuman Singh, Jack K. Clegg, Himanshu K. Poswal, V. Haridas, Sajesh P. Thomas|2024|Small|20|2402120|doi:10.1002/smll.202402120
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.cc2j00bx
title: CCDC 2323708: Experimental Crystal Structure Determination

description: Related Article: Atiqur Rahman, Srijan Mondal, Mantu Modak, Ashi Singh, Navdeep S. Thayat, Hanuman Singh, Jack K. Clegg, Himanshu K. Poswal, V. Haridas, Sajesh P. Thomas|2024|Small|20|2402120|doi:10.1002/smll.202402120
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.cc2j9zd7
title: CCDC 2333289: Experimental Crystal Structure Determination

description: Related Article: Jinke Jiang,  Hui Jiang|2024|Z.Kristallogr.-New Cryst.Struct.|239|523|doi:10.1515/ncrs-2024-0068
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.cc2j9zmg
title: CCDC 2333296: Experimental Crystal Structure Determination

description: Related Article: Sneha Ray, Kajal Krishna Rajak|2025|J.Organomet.Chem.|1028|123529|doi:10.1016/j.jorganchem.2025.123529
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.cc2jb0kg
title: CCDC 2333325: Experimental Crystal Structure Determination

description: Related Article: Paul G. Waddell|2024|J.Chem.Cryst.|54|203|doi:10.1007/s10870-024-01013-6
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.cc2jb0lh
title: CCDC 2333326: Experimental Crystal Structure Determination

description: Related Article: Paul G. Waddell|2024|J.Chem.Cryst.|54|203|doi:10.1007/s10870-024-01013-6
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.cc2jb0mj
title: CCDC 2333327: Experimental Crystal Structure Determination

description: Related Article: Paul G. Waddell|2024|J.Chem.Cryst.|54|203|doi:10.1007/s10870-024-01013-6
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.cc2jb0nk
title: CCDC 2333328: Experimental Crystal Structure Determination

description: Related Article: Paul G. Waddell|2024|J.Chem.Cryst.|54|203|doi:10.1007/s10870-024-01013-6
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.cc2j9zvp
title: CCDC 2333303: Experimental Crystal Structure Determination

description: Related Article: Eduard Frank, Sooyoung Park, Elias Harrer, Jana L. Flügel, Marcel Fischer, Patrick Nuernberger, Julia Rehbein, Alexander Breder|2024|J.Am.Chem.Soc.|146|34383|doi:10.1021/jacs.4c09405
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.cc2jb0pl
title: CCDC 2333329: Experimental Crystal Structure Determination

description: Related Article: Paul G. Waddell|2024|J.Chem.Cryst.|54|203|doi:10.1007/s10870-024-01013-6
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.cc2j3zrd
title: CCDC 2327534: Experimental Crystal Structure Determination

description: Related Article: Masnun Naher, Chuyi Su, Jeffrey R. Harmer, Craig M. Williams, Paul V. Bernhardt|2024|Inorg.Chem.|63|6453|doi:10.1021/acs.inorgchem.4c00311
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.cc2jb0b7
title: CCDC 2333318: Experimental Crystal Structure Determination

description: Related Article: Buddhadeb Pal, Prasenjit Mal|2025|Org.Lett.|27|978|doi:10.1021/acs.orglett.4c04509
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.cc2jb0gc
title: CCDC 2333322: Experimental Crystal Structure Determination

description: Related Article: Buddhadeb Pal, Prasenjit Mal|2025|Org.Lett.|27|978|doi:10.1021/acs.orglett.4c04509
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.cc2jb0qm
title: CCDC 2333330: Experimental Crystal Structure Determination

description: Related Article: Armands Maļeckis,  Marija Cvetinska,  Muza Kirjušina,  Ligita Mežaraupe,  Sanita Kecko,  Inese Gavarāne,  Vladimir Kiyan,  Lyudmila Lider,  Veronika Pavlova,  Marina Savicka,  Sergey Belyakov,  Elena Kirilova|2024|Molecules|29|1143|doi:10.3390/molecules29051143
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.cc2g0r19
title: CCDC 2264830: Experimental Crystal Structure Determination

description: Related Article: Ravi Yadav, Avijit Maiti, Marcel Schorpp, Jürgen Graf, Florian Weigend, Lutz Greb |2024|Nature Chemistry|16|1523|doi:10.1038/s41557-024-01530-z
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.cc2hb3gf
title: CCDC 2303624: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2hb3hg
title: CCDC 2303625: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.34740/kaggle/dsv/13502913
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.5517/ccdc.csd.cc2hb3b9
title: CCDC 2303620: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2hb3fd
title: CCDC 2303623: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2jb1c9
title: CCDC 2333350: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2jb1db
title: CCDC 2333351: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2jb1fc
title: CCDC 2333352: Experimental Crystal Structure Determination

description: Related Article: Heiko Ruppert, Arne Meister, Ronja Pfretzschner, André Faria Vieira, Lutz Greb|2024|J.Am.Chem.Soc.|146|11515|doi:10.1021/jacs.4c02446
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.cc2jb1jg
title: CCDC 2333355: Experimental Crystal Structure Determination

description: Related Article: Debendra Prasad Panda, Diptikanta Swain, Rajamani Raghunathan, Athinarayanan Sundaresan|2024|Chem.Mater.|36|5698|doi:10.1021/acs.chemmater.4c00743
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.cc2jb1kh
title: CCDC 2333356: Experimental Crystal Structure Determination

description: Related Article: Debendra Prasad Panda, Diptikanta Swain, Rajamani Raghunathan, Athinarayanan Sundaresan|2024|Chem.Mater.|36|5698|doi:10.1021/acs.chemmater.4c00743
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.cc2jb1xv
title: CCDC 2333367: Experimental Crystal Structure Determination

description: Related Article: Thirupathi Nuligonda, Gautam Kumar, Jason W. Wang, Dinithi Rajapaksha, Ismael A. Elayan, Ramiz Demir, Neil J. Meanwell, Sherrie F. Wang, Lara K. Mahal, Alex Brown, Michael W. Meanwell |2024|Nat.Commun.|15|7080|doi:10.1038/s41467-024-51520-5
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.